1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H20FN5O3S — CID 157157036

About 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 157157036) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 157157036
• Molecular Formula: C22H20FN5O3S
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.13
• IUPAC Name: 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CS(=O)(=O)c1ccc(CCCNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1
• InChI: InChI=1S/C22H20FN5O3S/c1-32(30,31)21-9-4-15(11-26-21)3-2-10-25-22(29)19-12-24-14-20-18(19)13-27-28(20)17-7-5-16(23)6-8-17/h4-9,11-14H,2-3,10H2,1H3,(H,25,29)
• InChIKey: ALXWHAUQIBFWDT-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 106.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 157157036) is 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1ccc(CCCNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is ALXWHAUQIBFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-32(30,31)21-9-4-15(11-26-21)3-2-10-25-22(29)19-12-24-14-20-18(19)13-27-28(20)17-7-5-16(23)6-8-17/h4-9,11-14H,2-3,10H2,1H3,(H,25,29).

What are the key properties of 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 157157036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).