AG00ASEA

1516895-53-6 | rel-2-[(1R,2R)-2-(5,8-Dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methylimidazo[2,1-f][1,6]naphthyridine

AG00ASEA

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CAS Number	1516895-53-6
Catalog Number	AG00ASEA(AGN-PC-0WR3Y8)
Chemical Name	rel-2-[(1R,2R)-2-(5,8-Dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
IUPAC Name	2-[(1R,2R)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
InChI	InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3/t15-,16-/m1/s1
InChI Key	ZLHNYULRKIEGAY-HZPDHXFCSA-N
MDL Number	MFCD30345535
Molecular Formula	C21H19N7
Molecular Weight	369.4225
SMILES	CC1=CN=C(C=2N1N=C(N2)[C@H]2[C@@H](C2)C=2N=C1C=3C=CC=NC3C=CN1C2C)C
Synonyms	SEP-0372814, PDE10-IN-1, 1516895-53-6, 1516896-09-5, AK544224, SCHEMBL17254608, KS-00000TPE, EX-A1141, MFCD30345535, AKOS025287168, ZINC210248763, DS-19300, HY-12813, 2-((1R,2R)-2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl)-3-methylimidazo[2,1-f][1,6]naphthyridine, 2-[(1S,2S)-2-(5,8-Dimethyl-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methylimidazo[2,1-f][1,6]naphthyridine, 5,8-dimethyl-2-[(1R,2R)-2-{3-methylimidazo[2,1-f]1,6-naphthyridin-2-yl}cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine, Imidazo[2,1-f][1,6]naphthyridine,2-[(1R,2R)-2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methyl-, ZLHNYULRKIEGAY-HZPDHXFCSA-N, CS-4201, SEP 0372814,

Complexity	601
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	369.17g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	369.432g/mol
Monoisotopic Mass	369.17g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.3A^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

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