4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide

C120H96Cl6N30O18S6 — CID 159914849

IUPAC4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide
SMILES[2H]C([2H])([2H])c1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]C([2H])c1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]c1c(C)cnc(C(=O)c2ncnc3[nH]ccc23)c1NS(=O)(=O)c1ccc(Cl)c(C)c1.[2H]c1c(S(=O)(=O)Nc2cc(C)cnc2C(=O)c2ncnc3[nH]ccc23)ccc(Cl)c1C.[2H]c1cc(S(=O)(=O)Nc2cc(C)cnc2C(=O)c2ncnc3[nH]ccc23)cc(C)c1Cl
InChIInChI=1S/6C20H16ClN5O3S/c6*1-11-7-16(26-30(28,29)13-3-4-15(21)12(2)8-13)18(23-9-11)19(27)17-14-5-6-22-20(14)25-10-24-17/h6*3-10,26H,1-2H3,(H,22,24,25)/i8D;7D;4D;1D3;1D2;1D
InChIKeyNXQKXEKEPGWBLV-AWHNBITOSA-N
MW2660.45 g/mol
LogP21.93
Rot. Bonds33

About 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide

4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 159914849) has the molecular formula C120H96Cl6N30O18S6 and a molecular weight of 2660.45 g/mol. Its IUPAC name is 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide
PubChem CID159914849
Molecular FormulaC120H96Cl6N30O18S6
Molecular Weight2660.45 g/mol
Exact Mass2655.45
IUPAC Name4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide
SMILES[2H]C([2H])([2H])c1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]C([2H])c1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]c1c(C)cnc(C(=O)c2ncnc3[nH]ccc23)c1NS(=O)(=O)c1ccc(Cl)c(C)c1.[2H]c1c(S(=O)(=O)Nc2cc(C)cnc2C(=O)c2ncnc3[nH]ccc23)ccc(Cl)c1C.[2H]c1cc(S(=O)(=O)Nc2cc(C)cnc2C(=O)c2ncnc3[nH]ccc23)cc(C)c1Cl
InChIInChI=1S/6C20H16ClN5O3S/c6*1-11-7-16(26-30(28,29)13-3-4-15(21)12(2)8-13)18(23-9-11)19(27)17-14-5-6-22-20(14)25-10-24-17/h6*3-10,26H,1-2H3,(H,22,24,25)/i8D;7D;4D;1D3;1D2;1D
InChIKeyNXQKXEKEPGWBLV-AWHNBITOSA-N
XLogP21.93
TPSA706.20 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002660.45
LogP ≤ 521.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[5-chloro-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 58268198
N-[5-chloro-2-(7-hydroxy-5-methylpyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 123260960
N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)pyridin-3-yl]-4-[2-[5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-methyl-6-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)pyridin-2-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 126760999
4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethane
CID 155698583
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-cyanobenzenesulfonamide;3-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide
CID 157141010
3-tert-butyl-4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-6-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 157198510
4-chloro-N-[5-chloro-2-(7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157224740
4-chloro-N-[2-(5-chloro-7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157793948
4-chloro-N-[2-(7-hydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane
CID 157812837
4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]-N-methoxy-N-methylpyridine-2-carboxamide
CID 157901348
4-chloro-N-[5-chloro-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 157981624
4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 158060619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide (CID 159914849) is 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide is [2H]C([2H])([2H])c1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]C([2H])c1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.[2H]c1c(C)cnc(C(=O)c2ncnc3[nH]ccc23)c1NS(=O)(=O)c1ccc(Cl)c(C)c1.[2H]c1c(S(=O)(=O)Nc2cc(C)cnc2C(=O)c2ncnc3[nH]ccc23)ccc(Cl)c1C.[2H]c1cc(S(=O)(=O)Nc2cc(C)cnc2C(=O)c2ncnc3[nH]ccc23)cc(C)c1Cl.
What is the InChIKey of 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is NXQKXEKEPGWBLV-AWHNBITOSA-N. The full InChI is InChI=1S/6C20H16ClN5O3S/c6*1-11-7-16(26-30(28,29)13-3-4-15(21)12(2)8-13)18(23-9-11)19(27)17-14-5-6-22-20(14)25-10-24-17/h6*3-10,26H,1-2H3,(H,22,24,25)/i8D;7D;4D;1D3;1D2;1D.
What are the key properties of 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide?
4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 2660.45 g/mol, XLogP of 21.93, 33 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-deuterio-3-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-3-deuterio-5-methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[4-deuterio-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(deuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-(dideuteriomethyl)-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-3-methyl-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-5-(trideuteriomethyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 159914849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).