6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C68H76Cl3N9O3S3 — CID 157498954

About 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157498954) has the molecular formula C68H76Cl3N9O3S3 and a molecular weight of 1269.98 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157498954
• Molecular Formula: C68H76Cl3N9O3S3
• Molecular Weight: 1269.98 g/mol
• Exact Mass: 1267.43
• IUPAC Name: 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)NCCc2ccc(C3CCCCC3)cc2)sc2nc(Cl)ccc12.Cc1c(C(=O)NCCc2ccc(C3CCN(C)CC3)cc2)sc2nc(Cl)ccc12.Cc1c(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)sc2nc(Cl)ccc12
• InChI: InChI=1S/C23H26ClN3OS.C23H25ClN2OS.C22H25ClN4OS/c1-15-19-7-8-20(24)26-23(19)29-21(15)22(28)25-12-9-16-3-5-17(6-4-16)18-10-13-27(2)14-11-18;1-15-19-11-12-20(24)26-23(19)28-21(15)22(27)25-14-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17;1-15-18-7-8-19(23)25-22(18)29-20(15)21(28)24-10-9-16-3-5-17(6-4-16)27-13-11-26(2)12-14-27/h3-8,18H,9-14H2,1-2H3,(H,25,28);7-12,17H,2-6,13-14H2,1H3,(H,25,27);3-8H,9-14H2,1-2H3,(H,24,28)
• InChIKey: BYEDXUMELLLDMU-UHFFFAOYSA-N
• XLogP: 15.30
• TPSA: 135.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1269.98
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 157498954) is 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NCCc2ccc(C3CCCCC3)cc2)sc2nc(Cl)ccc12.Cc1c(C(=O)NCCc2ccc(C3CCN(C)CC3)cc2)sc2nc(Cl)ccc12.Cc1c(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)sc2nc(Cl)ccc12.

What is the InChIKey of 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is BYEDXUMELLLDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3OS.C23H25ClN2OS.C22H25ClN4OS/c1-15-19-7-8-20(24)26-23(19)29-21(15)22(28)25-12-9-16-3-5-17(6-4-16)18-10-13-27(2)14-11-18;1-15-19-11-12-20(24)26-23(19)28-21(15)22(27)25-14-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17;1-15-18-7-8-19(23)25-22(18)29-20(15)21(28)24-10-9-16-3-5-17(6-4-16)27-13-11-26(2)12-14-27/h3-8,18H,9-14H2,1-2H3,(H,25,28);7-12,17H,2-6,13-14H2,1H3,(H,25,27);3-8H,9-14H2,1-2H3,(H,24,28).

What are the key properties of 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?

6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1269.98 g/mol, XLogP of 15.30, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[2-(4-cyclohexylphenyl)ethyl]-3-methylthieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157498954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).