AG00I944

50847-11-5 | 1-Propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-

AG00I944

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CAS Number	50847-11-5
Catalog Number	AG00I944(AGN-PC-079ILI)
Chemical Name	1-Propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-
IUPAC Name	2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
InChI	InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
InChI Key	ZJVFLBOZORBYFE-UHFFFAOYSA-N
MDL Number	MFCD00864808
Molecular Formula	C14H18N2O
Molecular Weight	230.3055
SMILES	CC(C)C(C1=C2C=CC=CN2N=C1C(C)C)=O
UNII	M0TTH61XC5
Synonyms	3-isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine, ibudilast, KC 404, KC-404, ibudilast, 50847-11-5, Ketas, KC-404, Ibudilastum, Ke Tas, Ibudilastum [Latin], Ibudilast [INN:JAN], MN-166, Eyevinal, AV-411, UNII-M0TTH61XC5, Ketas (TN), 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine, 3-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine, Tocris-1694, Ibudilast (JAN/INN), Lopac-I-0157, 2-Isopropyl-3-isobutyrylpyrazolo(1,5-a)pyridine, 1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one, 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one, AV411, BRN 0656579, M0TTH61XC5, CHEMBL19449, I0157_SIGMA, 1-Propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-, MFCD00864808, Pyrazolo(1,5-a)pyridine, 3-isobutyryl-2-isopropyl-, NCGC00015542-05, AK160499, 1-(2-Isopropylpyrazolo(1,5-a)pyridin-3-yl)-2-methyl-1-propanone, 2-Methyl-1-[2-(Propan-2-Yl)pyrazolo[1,5-A]pyridin-3-Yl]propan-1-One, 1-Propanone, 2-methyl-1-(2-(1-methylethyl)pyrazolo(1,5-a)pyridin-3-yl)-, DSSTox_CID_28933, DSSTox_RID_83199, 2-isopropyl-3-isobutyrylpyrazolo[1,5-a]pyridine, DSSTox_GSID_49007, CAS-50847-11-5, SR-01000075927, AV 411, KC 404, Pinatos, Ibudilast,(S), AC1L1GGB, Ibudilast (JP17/INN), I 0157, Lopac0_000599, SCHEMBL30390, 5-24-03-00396 (Beilstein Handbook Reference), MLS000862198, GTPL7399, ZINC4234, DTXSID7049007, CHEBI:31684, CTK8B3008, KS-00000LWH, ZJVFLBOZORBYFE-UHFFFAOYSA-N, BCPP000209, HMS2089B21, HMS2233H08, HMS3261H20, HMS3268O11, HMS3374P02, HMS3676B20, HMS3715L09, MN166, BCP02335, HY-B0763, Tox21_113503, Tox21_500599, ANW-41585, BDBM50240404, BS0097, SBB056343, Ibudilast, >=99% (HPLC), solid, 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl] 1-propanone, AKOS015895123, Tox21_113503_1, AC-1044, API0002963, BCP9000768, CCG-204688, CS-2966, DB05266, LP00599, RL03870, SB19092, NCGC00015542-01, NCGC00015542-02, NCGC00015542-03, NCGC00015542-04, NCGC00015542-06, NCGC00015542-07, NCGC00025261-01, NCGC00025261-02, NCGC00025261-03, NCGC00025261-04, NCGC00261284-01, AJ-08199, AN-15342, BC205064, SMR000326961, SY051343, AB0007937, AX8005265, LS-129153, TR-018156, EU-0100599, FT-0654591, I0740, ST24047395, MFCD00864808 (97%), D01385, AB00698306-06, 3-Isobutyryl-2-isopropyl-Pyrazolo(1,5-a)pyridine, 847I115, A828320, H-20256, L003042, I06-0361, J-512714, SR-01000075927-1, SR-01000075927-3, SR-01000075927-6, BRD-K16444452-001-03-4, 1-(2-isopropylH-pyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one, 1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one, 1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one, 1-(2-Isopropyl-pyrazolo[1,5-alpha]pyridin-3-yl)-2-methyl-propan-1-one, 1-(2-isopropylpyrazolo[1,5-alpha]pyridin-3-yl)-2-methylpropan-1-one, 2-methyl-1-(2-propan-2-yl-3-pyrazolo[1,5-a]pyridinyl)-1-propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone, (Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one, 1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one (Ibudilast), 2-methyl-1-[2-(methylethyl)(8-hydropyrazolo[1,5-a]pyridin-3-yl)]propan-1-one, AVL, D03QJL, C14H18N2O, cc-407, CID3671, C14-H18-N2-O, KP-305, ACN-032228, CS-O-11666, A11019, C038366, 2-Methyl-1-[2-(1-methyl-ethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.142g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.311g/mol
Monoisotopic Mass	230.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number