4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C31H26F2N6O4 — CID 46842573

About 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 46842573) has the molecular formula C31H26F2N6O4 and a molecular weight of 584.58 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 46842573
• Molecular Formula: C31H26F2N6O4
• Molecular Weight: 584.58 g/mol
• Exact Mass: 584.20
• IUPAC Name: 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5nccc(=O)[nH]5)CC4)c(OC)cc3C)c(F)c12
• InChI: InChI=1S/C31H26F2N6O4/c1-16-14-22(43-3)21(28(41)37-31(10-11-31)30-35-12-8-23(40)36-30)15-20(16)19-9-13-39-27(25(19)33)24(29(42)34-2)26(38-39)17-4-6-18(32)7-5-17/h4-9,12-15H,10-11H2,1-3H3,(H,34,42)(H,37,41)(H,35,36,40)
• InChIKey: SBSCCVCHOPFBPW-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 130.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.58
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 46842573) is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5nccc(=O)[nH]5)CC4)c(OC)cc3C)c(F)c12.

What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is SBSCCVCHOPFBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N6O4/c1-16-14-22(43-3)21(28(41)37-31(10-11-31)30-35-12-8-23(40)36-30)15-20(16)19-9-13-39-27(25(19)33)24(29(42)34-2)26(38-39)17-4-6-18(32)7-5-17/h4-9,12-15H,10-11H2,1-3H3,(H,34,42)(H,37,41)(H,35,36,40).

What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 584.58 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(6-oxo-1H-pyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 46842573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).