4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C33H27F3N4O3 — CID 46185442

About 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 46185442) has the molecular formula C33H27F3N4O3 and a molecular weight of 584.60 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 46185442
• Molecular Formula: C33H27F3N4O3
• Molecular Weight: 584.60 g/mol
• Exact Mass: 584.20
• IUPAC Name: 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5cccc(F)c5)CC4)c(OC)cc3C)c(F)c12
• InChI: InChI=1S/C33H27F3N4O3/c1-18-15-26(43-3)25(31(41)38-33(12-13-33)20-5-4-6-22(35)16-20)17-24(18)23-11-14-40-30(28(23)36)27(32(42)37-2)29(39-40)19-7-9-21(34)10-8-19/h4-11,14-17H,12-13H2,1-3H3,(H,37,42)(H,38,41)
• InChIKey: BGASFGUXQMQWQE-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.60
LogP ≤ 5	6.18
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-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 46185442) is 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5cccc(F)c5)CC4)c(OC)cc3C)c(F)c12.

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

The InChIKey is BGASFGUXQMQWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N4O3/c1-18-15-26(43-3)25(31(41)38-33(12-13-33)20-5-4-6-22(35)16-20)17-24(18)23-11-14-40-30(28(23)36)27(32(42)37-2)29(39-40)19-7-9-21(34)10-8-19/h4-11,14-17H,12-13H2,1-3H3,(H,37,42)(H,38,41).

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

4-fluoro-2-(4-fluorophenyl)-5-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 584.60 g/mol, XLogP of 6.18, 7 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-[5-[[1-(3-fluorophenyl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 46185442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).