5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide

C24H17N5OS — CID 69472191

About 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide

5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 69472191) has the molecular formula C24H17N5OS and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 69472191
• Molecular Formula: C24H17N5OS
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.12
• IUPAC Name: 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(Nc2c(C#N)cnc3sc(C(=O)Nc4ccccc4)cc23)ccc2[nH]ccc12
• InChI: InChI=1S/C24H17N5OS/c1-14-17-9-10-26-20(17)8-7-19(14)29-22-15(12-25)13-27-24-18(22)11-21(31-24)23(30)28-16-5-3-2-4-6-16/h2-11,13,26H,1H3,(H,27,29)(H,28,30)
• InChIKey: GRALOGDQWUHUQH-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 93.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 69472191) is 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1c(Nc2c(C#N)cnc3sc(C(=O)Nc4ccccc4)cc23)ccc2[nH]ccc12.

What is the InChIKey of 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is GRALOGDQWUHUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5OS/c1-14-17-9-10-26-20(17)8-7-19(14)29-22-15(12-25)13-27-24-18(22)11-21(31-24)23(30)28-16-5-3-2-4-6-16/h2-11,13,26H,1H3,(H,27,29)(H,28,30).

What are the key properties of 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide?

5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 5.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 69472191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).