AG003EEI

612487-72-6 | 2-hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile

AG003EEI

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CAS Number	612487-72-6
Catalog Number	AG003EEI(AGN-PC-0SZJUP)
Chemical Name	2-hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile
IUPAC Name	2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
InChI	InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
InChI Key	BLTVBQXJFVRPFK-UHFFFAOYSA-N
MDL Number	MFCD12031593
Molecular Formula	C19H18N4O2
Molecular Weight	334.3718
SMILES	N#CC1=CC2=C(NC(O)=C2C3=NC=C(CN4CCOCC4)C=C3)C=C1
UNII	0TII45R8IJ
Synonyms	2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1H-indole-5-carbonitrile, AZD1080, AZD1080, 612487-72-6, AZD-1080, UNII-0TII45R8IJ, 0TII45R8IJ, AZD 1080, AK198951, AZ-11548415, 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile, (3Z)-3-[5-(Morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile, 2-Hydroxy-3-[5-[(morpholin-4-yl)methyl]pyridin-2-yl]-1H-indole-5-carbonitrile, 1H-Indole-5-carbonitrile, 2-hydroxy-3-(5-(4-morpholinylmethyl)-2-pyridinyl)-, 1H-INDOLE-5-CARBONITRILE, 2-HYDROXY-3-[5-(4-MORPHOLINYLMETHYL)-2-PYRIDINYL]-, 2-Hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1H-indole-5-carbonitrile, Kinome_2945, SCHEMBL394519, GTPL7819, CHEMBL1969664, SCHEMBL18642421, SCHEMBL18642422, CTK5B2915, DTXSID70678598, EX-A230, BLTVBQXJFVRPFK-UHFFFAOYSA-N, HMS3653I11, AOB87345, BCP07919, AZD 1080?, MFCD12031593, s7145, ZINC38698888, AKOS026674123, AKOS026750189, AKOS032947292, ZINC137822719, ZINC141742530, CS-1520, NCGC00386283-04, NCGC00389257-01, 4CA-0221, BC600381, HY-13862, QC-11776, AB0033444, KB-160506, FT-0700484, SW219647-1, X6996, KS-00000021, W-5522, J-690334, (3E)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile, 2-Hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile, 2-Hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1H-indole-5-carbonitrile, 3-{5-[(Morpholin-4-yl)methyl]pyridin-2(1H)-ylidene}-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile, Nirogacestat, D0MC0O, C19H18N4O2, B1536, A12819, 2-Hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile,

Complexity	501
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.143g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	334.379g/mol
Monoisotopic Mass	334.143g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	85.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

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