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

C20H16FN5O2S — CID 118735952

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

N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide (PubChem CID 118735952) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 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]-4-fluorobenzamide.

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]-4-fluorobenzamide
• PubChem CID: 118735952
• Molecular Formula: C20H16FN5O2S
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.10
• IUPAC Name: N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide
• SMILES: Cc1cc(C(=O)N2CCc3c(sc(NC(=O)c4ccc(F)cc4)c3C#N)C2)n[nH]1
• InChI: InChI=1S/C20H16FN5O2S/c1-11-8-16(25-24-11)20(28)26-7-6-14-15(9-22)19(29-17(14)10-26)23-18(27)12-2-4-13(21)5-3-12/h2-5,8H,6-7,10H2,1H3,(H,23,27)(H,24,25)
• InChIKey: STMIMNVLNXVNBF-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	3.24
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]-4-fluorobenzamide?

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]-4-fluorobenzamide (CID 118735952) is N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide.

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]-4-fluorobenzamide?

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]-4-fluorobenzamide is Cc1cc(C(=O)N2CCc3c(sc(NC(=O)c4ccc(F)cc4)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]-4-fluorobenzamide?

The InChIKey is STMIMNVLNXVNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-11-8-16(25-24-11)20(28)26-7-6-14-15(9-22)19(29-17(14)10-26)23-18(27)12-2-4-13(21)5-3-12/h2-5,8H,6-7,10H2,1H3,(H,23,27)(H,24,25).

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]-4-fluorobenzamide?

N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide has a molecular weight of 409.45 g/mol, XLogP of 3.24, 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]-4-fluorobenzamide is sourced from PubChem (CID 118735952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).