N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C45H39ClN6O9S3 — CID 90013323

About N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90013323) has the molecular formula C45H39ClN6O9S3 and a molecular weight of 939.49 g/mol. Its IUPAC name is N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 90013323
• Molecular Formula: C45H39ClN6O9S3
• Molecular Weight: 939.49 g/mol
• Exact Mass: 938.16
• IUPAC Name: N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: COc1cc(C)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c1OC.COc1ccc(Cl)cc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1
• InChI: InChI=1S/C23H22N4O5S.C22H17ClN2O4S2/c1-14-8-19(31-2)21(32-3)20(9-14)33(29,30)18-6-4-15(5-7-18)11-25-23(28)17-10-16-13-26-27-22(16)24-12-17;1-29-18-7-4-16(23)11-21(18)31(27,28)17-5-2-14(3-6-17)12-25-22(26)19-10-15-8-9-24-13-20(15)30-19/h4-10,12-13H,11H2,1-3H3,(H,25,28)(H,24,26,27);2-11,13H,12H2,1H3,(H,25,26)
• InChIKey: MXJFVYSYXLUUSZ-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 208.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.49
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90013323) is N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is COc1cc(C)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c1OC.COc1ccc(Cl)cc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1.

What is the InChIKey of N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is MXJFVYSYXLUUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S.C22H17ClN2O4S2/c1-14-8-19(31-2)21(32-3)20(9-14)33(29,30)18-6-4-15(5-7-18)11-25-23(28)17-10-16-13-26-27-22(16)24-12-17;1-29-18-7-4-16(23)11-21(18)31(27,28)17-5-2-14(3-6-17)12-25-22(26)19-10-15-8-9-24-13-20(15)30-19/h4-10,12-13H,11H2,1-3H3,(H,25,28)(H,24,26,27);2-11,13H,12H2,1H3,(H,25,26).

What are the key properties of N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 939.49 g/mol, XLogP of 7.77, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90013323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).