1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C25H27FN6OS — CID 143965653

About 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 143965653) has the molecular formula C25H27FN6OS and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 143965653
• Molecular Formula: C25H27FN6OS
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.20
• IUPAC Name: 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(NC(C)C)nc(SC)c1
• InChI: InChI=1S/C25H27FN6OS/c1-5-21(16-10-23(29-15(2)3)31-24(11-16)34-4)30-25(33)20-12-27-14-22-19(20)13-28-32(22)18-8-6-17(26)7-9-18/h6-15,21H,5H2,1-4H3,(H,29,31)(H,30,33)
• InChIKey: POAFOCYXGPDVOG-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 143965653) is 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(NC(C)C)nc(SC)c1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is POAFOCYXGPDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6OS/c1-5-21(16-10-23(29-15(2)3)31-24(11-16)34-4)30-25(33)20-12-27-14-22-19(20)13-28-32(22)18-8-6-17(26)7-9-18/h6-15,21H,5H2,1-4H3,(H,29,31)(H,30,33).

What are the key properties of 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 143965653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).