N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

C32H24FN5O4 — CID 67017374

About N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide

N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 67017374) has the molecular formula C32H24FN5O4 and a molecular weight of 561.57 g/mol. Its IUPAC name is N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
• PubChem CID: 67017374
• Molecular Formula: C32H24FN5O4
• Molecular Weight: 561.57 g/mol
• Exact Mass: 561.18
• IUPAC Name: N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
• SMILES: COc1ccc2c(Oc3ccc(CNC(=O)c4c(-c5ccccn5)[nH]n(-c5ccccc5)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C32H24FN5O4/c1-41-22-11-12-23-26(18-22)35-16-14-27(23)42-28-13-10-20(17-24(28)33)19-36-31(39)29-30(25-9-5-6-15-34-25)37-38(32(29)40)21-7-3-2-4-8-21/h2-18,37H,19H2,1H3,(H,36,39)
• InChIKey: DQVANDITPHMDSL-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.57
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?

The IUPAC name of N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 67017374) is N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide.

What is the SMILES notation for N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?

The canonical SMILES for N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is COc1ccc2c(Oc3ccc(CNC(=O)c4c(-c5ccccn5)[nH]n(-c5ccccc5)c4=O)cc3F)ccnc2c1.

What is the InChIKey of N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?

The InChIKey is DQVANDITPHMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN5O4/c1-41-22-11-12-23-26(18-22)35-16-14-27(23)42-28-13-10-20(17-24(28)33)19-36-31(39)29-30(25-9-5-6-15-34-25)37-38(32(29)40)21-7-3-2-4-8-21/h2-18,37H,19H2,1H3,(H,36,39).

What are the key properties of N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide?

N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 561.57 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]methyl]-3-oxo-2-phenyl-5-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 67017374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).