N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C34H37FN6O4 — CID 126842930

About N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 126842930) has the molecular formula C34H37FN6O4 and a molecular weight of 612.71 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
• PubChem CID: 126842930
• Molecular Formula: C34H37FN6O4
• Molecular Weight: 612.71 g/mol
• Exact Mass: 612.29
• IUPAC Name: N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(Oc3ccnc(C(=O)N4CCC(N5CCCCC5)CC4)c3)c(F)c2)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C34H37FN6O4/c1-23-31(34(44)41(38(23)2)26-9-5-3-6-10-26)32(42)37-24-11-12-30(28(35)21-24)45-27-13-16-36-29(22-27)33(43)40-19-14-25(15-20-40)39-17-7-4-8-18-39/h3,5-6,9-13,16,21-22,25H,4,7-8,14-15,17-20H2,1-2H3,(H,37,42)
• InChIKey: YUEIVZVKVPTLKP-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 101.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.71
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 126842930) is N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnc(C(=O)N4CCC(N5CCCCC5)CC4)c3)c(F)c2)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?

The InChIKey is YUEIVZVKVPTLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN6O4/c1-23-31(34(44)41(38(23)2)26-9-5-3-6-10-26)32(42)37-24-11-12-30(28(35)21-24)45-27-13-16-36-29(22-27)33(43)40-19-14-25(15-20-40)39-17-7-4-8-18-39/h3,5-6,9-13,16,21-22,25H,4,7-8,14-15,17-20H2,1-2H3,(H,37,42).

What are the key properties of N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?

N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 612.71 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 126842930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).