5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide

C27H23FN6O4 — CID 148956330

About 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide

5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide (PubChem CID 148956330) has the molecular formula C27H23FN6O4 and a molecular weight of 514.52 g/mol. Its IUPAC name is 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide
• PubChem CID: 148956330
• Molecular Formula: C27H23FN6O4
• Molecular Weight: 514.52 g/mol
• Exact Mass: 514.18
• IUPAC Name: 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide
• SMILES: COc1cn(C(Cc2ccn(C)n2)C(=O)Cc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(F)ccc1C#N
• InChI: InChI=1S/C27H23FN6O4/c1-33-8-7-19(32-33)11-23(24(35)9-16-3-6-22(27(30)37)31-14-16)34-15-25(38-2)21(12-26(34)36)20-10-18(28)5-4-17(20)13-29/h3-8,10,12,14-15,23H,9,11H2,1-2H3,(H2,30,37)
• InChIKey: PQXVKVUWSABOLQ-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 145.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.52
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?

The IUPAC name of 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide (CID 148956330) is 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide is COc1cn(C(Cc2ccn(C)n2)C(=O)Cc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(F)ccc1C#N.

What is the InChIKey of 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?

The InChIKey is PQXVKVUWSABOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O4/c1-33-8-7-19(32-33)11-23(24(35)9-16-3-6-22(27(30)37)31-14-16)34-15-25(38-2)21(12-26(34)36)20-10-18(28)5-4-17(20)13-29/h3-8,10,12,14-15,23H,9,11H2,1-2H3,(H2,30,37).

What are the key properties of 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide?

5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide has a molecular weight of 514.52 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(2-cyano-5-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-3-yl)-2-oxobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 148956330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).