4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide

C19H15ClN6O2S — CID 142732476

About 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide

4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 142732476) has the molecular formula C19H15ClN6O2S and a molecular weight of 426.89 g/mol. Its IUPAC name is 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide
• PubChem CID: 142732476
• Molecular Formula: C19H15ClN6O2S
• Molecular Weight: 426.89 g/mol
• Exact Mass: 426.07
• IUPAC Name: 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide
• SMILES: Cc1cc(C(=O)N2CCc3c(sc(NC(=O)c4cnccc4Cl)c3C#N)C2)n[nH]1
• InChI: InChI=1S/C19H15ClN6O2S/c1-10-6-15(25-24-10)19(28)26-5-3-11-12(7-21)18(29-16(11)9-26)23-17(27)13-8-22-4-2-14(13)20/h2,4,6,8H,3,5,9H2,1H3,(H,23,27)(H,24,25)
• InChIKey: KINBHOXAIIMFEY-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 114.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.89
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide?

The IUPAC name of 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide (CID 142732476) is 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide is Cc1cc(C(=O)N2CCc3c(sc(NC(=O)c4cnccc4Cl)c3C#N)C2)n[nH]1.

What is the InChIKey of 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide?

The InChIKey is KINBHOXAIIMFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2S/c1-10-6-15(25-24-10)19(28)26-5-3-11-12(7-21)18(29-16(11)9-26)23-17(27)13-8-22-4-2-14(13)20/h2,4,6,8H,3,5,9H2,1H3,(H,23,27)(H,24,25).

What are the key properties of 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide?

4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 426.89 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142732476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).