AG001SOI

1620576-64-8 | 1-Propanone, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-pyrazinyl]-1-ethyl-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-hydroxy-

AG001SOI

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CAS Number	1620576-64-8
Catalog Number	AG001SOI(AGN-PC-0WCYUV)
Chemical Name	1-Propanone, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-pyrazinyl]-1-ethyl-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-hydroxy-
IUPAC Name	1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one
InChI	InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)
InChI Key	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
MDL Number	MFCD28902194
Molecular Formula	C22H31N9O3
Molecular Weight	469.5400
SMILES	NC=1N=CC(=NC1C=1OC(=NN1)C(C)(C)C)C1=NC(=NN1CC)C1CCN(CC1)C(CCO)=O
UNII	8B97A88D35
Synonyms	1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one, AZD8835, AZD-8835, 1620576-64-8, AZD8835, UNII-8B97A88D35, AZD 8835, 8B97A88D35, 1-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one, 1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one, 1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one, 1-Propanone, 1-(4-(5-(5-amino-6-(5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl)-2-pyrazinyl)-1-ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl)-3-hydroxy-, 1-Propanone, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-pyrazinyl]-1-ethyl-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-hydroxy-, compound 25 [PMID: 26475521], GTPL8915, CHEMBL3894518, SCHEMBL15877923, AZD 8835 [WHO-DD], ZGRDYKFVDCFJCZ-UHFFFAOYSA-N, BDBM185362, BCP20347, EX-A2295, KS-00001D2E, MFCD28902194, s7966, ZINC145460849, CS-4984, NCGC00484075-01, HY-12869, A16352, US9156831, 3, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-,

Complexity	685
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	469.255g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	469.55g/mol
Monoisotopic Mass	469.255g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	162A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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

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