5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C30H24F5N5O3 — CID 118390615

About 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118390615) has the molecular formula C30H24F5N5O3 and a molecular weight of 597.54 g/mol. Its IUPAC name is 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 118390615
• Molecular Formula: C30H24F5N5O3
• Molecular Weight: 597.54 g/mol
• Exact Mass: 597.18
• IUPAC Name: 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CCCC4)c3)cc12
• InChI: InChI=1S/C30H24F5N5O3/c1-37-27(42)23-21-13-19(17-6-9-22(32)20(12-17)26(41)40-29(14-36)10-2-3-11-29)25(38-15-30(33,34)35)39-28(21)43-24(23)16-4-7-18(31)8-5-16/h4-9,12-13H,2-3,10-11,15H2,1H3,(H,37,42)(H,38,39)(H,40,41)
• InChIKey: XTVCFTZGPUXCKW-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 120.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.54
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 118390615) is 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC4(C#N)CCCC4)c3)cc12.

What is the InChIKey of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is XTVCFTZGPUXCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F5N5O3/c1-37-27(42)23-21-13-19(17-6-9-22(32)20(12-17)26(41)40-29(14-36)10-2-3-11-29)25(38-15-30(33,34)35)39-28(21)43-24(23)16-4-7-18(31)8-5-16/h4-9,12-13H,2-3,10-11,15H2,1H3,(H,37,42)(H,38,39)(H,40,41).

What are the key properties of 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 597.54 g/mol, XLogP of 6.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1-cyanocyclopentyl)carbamoyl]-4-fluorophenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118390615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).