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

C20H17N5O2S — CID 118735950

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

N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 118735950) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 118735950
• Molecular Formula: C20H17N5O2S
• Molecular Weight: 391.46 g/mol
• Exact Mass: 391.11
• IUPAC Name: N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: Cc1cc(C(=O)N2CCc3c(sc(NC(=O)c4ccccc4)c3C#N)C2)n[nH]1
• InChI: InChI=1S/C20H17N5O2S/c1-12-9-16(24-23-12)20(27)25-8-7-14-15(10-21)19(28-17(14)11-25)22-18(26)13-5-3-2-4-6-13/h2-6,9H,7-8,11H2,1H3,(H,22,26)(H,23,24)
• InChIKey: MPKONSQBQMKZIB-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.46
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 118735950) is N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

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

The canonical SMILES for N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is Cc1cc(C(=O)N2CCc3c(sc(NC(=O)c4ccccc4)c3C#N)C2)n[nH]1.

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

The InChIKey is MPKONSQBQMKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12-9-16(24-23-12)20(27)25-8-7-14-15(10-21)19(28-17(14)11-25)22-18(26)13-5-3-2-4-6-13/h2-6,9H,7-8,11H2,1H3,(H,22,26)(H,23,24).

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

N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 391.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 118735950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).