AG01EN4E

1616392-22-3 | 6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyrimidine-4-carboxamide

AG01EN4E

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CAS Number	1616392-22-3
Catalog Number	AG01EN4E
Chemical Name	6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
IUPAC Name	6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
InChI	InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1
InChI Key	JLCCNYVTIWRPIZ-NRFANRHFSA-N
MDL Number	MFCD29991177
Molecular Formula	C24H32N6O3
Molecular Weight	452.5493
SMILES	C(C)(=O)N1CCC(CC1)NC1=CC(=NC=N1)C(=O)NC[C@@H](CN1CC2=CC=CC=C2CC1)O
Synonyms	4-pyrimidinecarboxamide, 6-((1-acetyl-4-piperidinyl)amino)-N-(3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl)-, 6-((1-acetyl-4-piperidinyl)amino)-N-(3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-hydroxypropyl)-4-pyrimidinecarboxamide, GSK-3326595, 1616392-22-3, GSK3326595, 6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyrimidine-4-carboxamide, (S)-6-((1-acetylpiperidin-4-yl)amino)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)pyrimidine-4-carboxamide, GSK-3326595, UNII-VXT8SZ6875, VXT8SZ6875, SCHEMBL15825290, JLCCNYVTIWRPIZ-NRFANRHFSA-N, BDBM178166, EPZ015938, MFCD29991177, AKOS030528008, ZINC220119494, CS-6451, SB19657, AS-53150, HY-101563, GSK3326595(EPZ015938), A16862, US9675614, 208,

Complexity	656
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	452.254g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	452.559g/mol
Monoisotopic Mass	452.254g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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