AG000KDB

1233339-22-4 | 1H-Indole, 4-[4-[(3R)-3-methyl-4-morpholinyl]-6-[1-(methylsulfonyl)cyclopropyl]-2-pyrimidinyl]-

AG000KDB

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CAS Number	1233339-22-4
Catalog Number	AG000KDB(AGN-PC-0WCXWD)
Chemical Name	1H-Indole, 4-[4-[(3R)-3-methyl-4-morpholinyl]-6-[1-(methylsulfonyl)cyclopropyl]-2-pyrimidinyl]-
IUPAC Name	(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
InChI	InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
InChI Key	SCGCBAAYLFTIJU-CQSZACIVSA-N
MDL Number	MFCD25976730
Molecular Formula	C21H24N4O3S
Molecular Weight	412.5053
SMILES	N1C=CC2=C(C=CC=C12)C1=NC(=CC(=N1)N1[C@@H](COCC1)C)C1(CC1)S(=O)(=O)C
Synonyms	AZ20, 1233339-22-4, AZ 20, AZ-20, CHEMBL2325697, (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine, 4-[4-(1-methanesulfonylcyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole, compound 6 [PMID: 46244454], GTPL8477, SCHEMBL2511931, AOB6937, SYN5157, CHEBI:124915, SCGCBAAYLFTIJU-CQSZACIVSA-N, EX-A1801, BDBM50427326, s7050, ZINC68244750, AKOS024458534, CS-1483, SB19279, AZ20, >=98% (HPLC), NCGC00386311-06, AS-16518, BC600472, HY-15557, SW219703-1, Y1867, W-6095, 1H-Indole, 4-[4-[(3R)-3-methyl-4-morpholinyl]-6-[1-(methylsulfonyl)cyclopropyl]-2-pyrimidinyl]-, 4-[4-[(3R)-3-Methyl-4-morpholinyl]-6-[1-(methylsulfonyl)cyclopropyl]-2-pyrimidinyl]-1H-indole, 4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole, D02TSN, C21H24N4O3S, A13205, (R)-4-(2-(1H-indol-4-yl)-6-(1-(methylsulfonyl)cyclopropyl)pyrimidin-4-yl)-3-methylmorpholine, (R)-4-(2-(3H-indol-4-yl)-6-(1-(methylsulfonyl)cyclopropyl)pyrimidin-4-yl)-3-methylmorpholine,

Complexity	707
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	412.157g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	412.508g/mol
Monoisotopic Mass	412.157g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	96.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

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