4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C30H22F3N5O2 — CID 59233837

About 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233837) has the molecular formula C30H22F3N5O2 and a molecular weight of 541.53 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 59233837
• Molecular Formula: C30H22F3N5O2
• Molecular Weight: 541.53 g/mol
• Exact Mass: 541.17
• IUPAC Name: 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(F)cc(C(=O)NC4(c5ccccn5)CC4)c3)c(F)c12
• InChI: InChI=1S/C30H22F3N5O2/c1-34-29(40)24-26(17-5-7-20(31)8-6-17)37-38-13-9-22(25(33)27(24)38)18-14-19(16-21(32)15-18)28(39)36-30(10-11-30)23-4-2-3-12-35-23/h2-9,12-16H,10-11H2,1H3,(H,34,40)(H,36,39)
• InChIKey: HWOBCWNSZKSRRB-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.53
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233837) is 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(F)cc(C(=O)NC4(c5ccccn5)CC4)c3)c(F)c12.

What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HWOBCWNSZKSRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N5O2/c1-34-29(40)24-26(17-5-7-20(31)8-6-17)37-38-13-9-22(25(33)27(24)38)18-14-19(16-21(32)15-18)28(39)36-30(10-11-30)23-4-2-3-12-35-23/h2-9,12-16H,10-11H2,1H3,(H,34,40)(H,36,39).

What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 541.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).