AG00GU6N

934541-31-8 | 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide

AG00GU6N

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CAS Number	934541-31-8
Catalog Number	AG00GU6N(AGN-PC-0W30M1)
Chemical Name	5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide
IUPAC Name	5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
InChI	InChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)
InChI Key	WKDACQVEJIVHMZ-UHFFFAOYSA-N
MDL Number	MFCD18782651
Molecular Formula	C28H32N4O3S
Molecular Weight	504.6437
SMILES	C(C)S(=O)(=O)C=1C=C(C=CC1)C1=C2C3=C(NC2=C(C(=C1)C(=O)NC1CCN(CC1)C)C)N=CC(=C3)C
UNII	DM9UIR23R7
Synonyms	TAK-901, TAK-901, 934541-31-8, TAK901, TAK 901, UNII-DM9UIR23R7, 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide, 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide, DM9UIR23R7, 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide, C28H32N4O3S, 5-[3-(ethanesulfonyl)phenyl]-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide, cc-11, MLS006010174, SCHEMBL645679, CHEMBL3544932, DTXSID70583097, EX-A874, WKDACQVEJIVHMZ-UHFFFAOYSA-N, HMS3656F17, TAK-901/TAK901/, ABP000125, MFCD18782651, s2718, ZINC35310420, AKOS005266666, CS-0243, DB12756, KIN0000797, RL05867, SB19309, NCGC00346645-01, NCGC00346645-05, 4CA-1202, AS-19385, BC644668, HY-12201, QC-11807, SC-58239, SMR004701282, AB0008162, AB1009198, DB-044972, A4124, FT-0674794, SW220051-1, X7460, W-5791, J-516603, 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-meth, 934541-31-8 pound not TAK901 pound not TAK 901, N-(1-Methyl-4-piperidinyl)-3,8-dimethyl-5-(m-ethylsulfonylphenyl)-9H-pyrido[2,3-b]indole-7-carboxamide, null, D08HFW, A11067,

Complexity	884
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	504.22g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	504.649g/mol
Monoisotopic Mass	504.22g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H317
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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