N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide

C57H61N13O9S5 — CID 88919810

About N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 88919810) has the molecular formula C57H61N13O9S5 and a molecular weight of 1232.53 g/mol. Its IUPAC name is N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 88919810
• Molecular Formula: C57H61N13O9S5
• Molecular Weight: 1232.53 g/mol
• Exact Mass: 1231.33
• IUPAC Name: N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
• SMILES: NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2nccn2c1
• InChI: InChI=1S/C19H21N5O3S.2C19H20N4O3S2/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)28(26,27)24-11-7-20-8-12-24;20-15-6-8-23(12-15)28(25,26)16-3-1-13(2-4-16)10-22-19(24)17-9-14-5-7-21-11-18(14)27-17;24-19(17-11-15-5-6-21-13-18(15)27-17)22-12-14-1-3-16(4-2-14)28(25,26)23-9-7-20-8-10-23/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25);1-5,7,9,11,15H,6,8,10,12,20H2,(H,22,24);1-6,11,13,20H,7-10,12H2,(H,22,24)
• InChIKey: VDMMMOAOFHNBMH-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 292.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1232.53
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 88919810) is N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide is NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)N2CCNCC2)cc1)c1ccc2nccn2c1.

What is the InChIKey of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is VDMMMOAOFHNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.2C19H20N4O3S2/c25-19(16-3-6-18-21-9-10-23(18)14-16)22-13-15-1-4-17(5-2-15)28(26,27)24-11-7-20-8-12-24;20-15-6-8-23(12-15)28(25,26)16-3-1-13(2-4-16)10-22-19(24)17-9-14-5-7-21-11-18(14)27-17;24-19(17-11-15-5-6-21-13-18(15)27-17)22-12-14-1-3-16(4-2-14)28(25,26)23-9-7-20-8-10-23/h1-6,9-10,14,20H,7-8,11-13H2,(H,22,25);1-5,7,9,11,15H,6,8,10,12,20H2,(H,22,24);1-6,11,13,20H,7-10,12H2,(H,22,24).

What are the key properties of N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?

N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 1232.53 g/mol, XLogP of 4.63, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 88919810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).