N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C69H76F3N12O3S3+ — CID 162078002

About N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 162078002) has the molecular formula C69H76F3N12O3S3+ and a molecular weight of 1274.64 g/mol. Its IUPAC name is N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 162078002
• Molecular Formula: C69H76F3N12O3S3+
• Molecular Weight: 1274.64 g/mol
• Exact Mass: 1273.53
• IUPAC Name: N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(C)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Cc1ccc2c(C)c(C(=O)NCCc3ccc(-[n+]4cnn5c4CNCC5)cc3)sc2n1.Cc1ccc2c(C)c(C(=O)NCCc3ccc(N4CCCCC4)c(F)c3)sc2n1
• InChI: InChI=1S/C23H25F2N3OS.C23H26FN3OS.C23H24N6OS/c1-14-6-7-17-15(2)21(30-23(17)27-14)22(29)26-9-8-16-12-19(25)20(13-18(16)24)28-10-4-3-5-11-28;1-15-6-8-18-16(2)21(29-23(18)26-15)22(28)25-11-10-17-7-9-20(19(24)14-17)27-12-4-3-5-13-27;1-15-3-8-19-16(2)21(31-23(19)27-15)22(30)25-10-9-17-4-6-18(7-5-17)28-14-26-29-12-11-24-13-20(28)29/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,26,29);6-9,14H,3-5,10-13H2,1-2H3,(H,25,28);3-8,14,24H,9-13H2,1-2H3/p+1
• InChIKey: YGFSILGJKVYNSE-UHFFFAOYSA-O
• XLogP: 12.63
• TPSA: 166.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1274.64
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 162078002) is N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.Cc1ccc2c(C)c(C(=O)NCCc3ccc(-[n+]4cnn5c4CNCC5)cc3)sc2n1.Cc1ccc2c(C)c(C(=O)NCCc3ccc(N4CCCCC4)c(F)c3)sc2n1.

What is the InChIKey of N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is YGFSILGJKVYNSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25F2N3OS.C23H26FN3OS.C23H24N6OS/c1-14-6-7-17-15(2)21(30-23(17)27-14)22(29)26-9-8-16-12-19(25)20(13-18(16)24)28-10-4-3-5-11-28;1-15-6-8-18-16(2)21(29-23(18)26-15)22(28)25-11-10-17-7-9-20(19(24)14-17)27-12-4-3-5-13-27;1-15-3-8-19-16(2)21(31-23(19)27-15)22(30)25-10-9-17-4-6-18(7-5-17)28-14-26-29-12-11-24-13-20(28)29/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,26,29);6-9,14H,3-5,10-13H2,1-2H3,(H,25,28);3-8,14,24H,9-13H2,1-2H3/p+1.

What are the key properties of N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1274.64 g/mol, XLogP of 12.63, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3,6-dimethyl-N-[2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-1-ium-1-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;N-[2-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 162078002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).