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

C31H26F2N6O3 — CID 46842574

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

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-pyridazin-4-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 46842574) has the molecular formula C31H26F2N6O3 and a molecular weight of 568.58 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-pyridazin-4-ylcyclopropyl)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-pyridazin-4-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 46842574
• Molecular Formula: C31H26F2N6O3
• Molecular Weight: 568.58 g/mol
• Exact Mass: 568.20
• IUPAC Name: 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-pyridazin-4-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccnnc5)CC4)c(OC)cc3C)c(F)c12
• InChI: InChI=1S/C31H26F2N6O3/c1-17-14-24(42-3)23(29(40)37-31(10-11-31)19-8-12-35-36-16-19)15-22(17)21-9-13-39-28(26(21)33)25(30(41)34-2)27(38-39)18-4-6-20(32)7-5-18/h4-9,12-16H,10-11H2,1-3H3,(H,34,41)(H,37,40)
• InChIKey: DTTIUKWAGPDZKL-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.58
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
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-pyridazin-4-ylcyclopropyl)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-pyridazin-4-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 46842574) is 4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-pyridazin-4-ylcyclopropyl)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-pyridazin-4-ylcyclopropyl)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-pyridazin-4-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccnnc5)CC4)c(OC)cc3C)c(F)c12.

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

The InChIKey is DTTIUKWAGPDZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N6O3/c1-17-14-24(42-3)23(29(40)37-31(10-11-31)19-8-12-35-36-16-19)15-22(17)21-9-13-39-28(26(21)33)25(30(41)34-2)27(38-39)18-4-6-20(32)7-5-18/h4-9,12-16H,10-11H2,1-3H3,(H,34,41)(H,37,40).

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

4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[(1-pyridazin-4-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 568.58 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 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-pyridazin-4-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 46842574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).