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

C30H26F4N6O4 — CID 118390632

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

5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118390632) has the molecular formula C30H26F4N6O4 and a molecular weight of 610.57 g/mol. Its IUPAC name is 5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 118390632
• Molecular Formula: C30H26F4N6O4
• Molecular Weight: 610.57 g/mol
• Exact Mass: 610.20
• IUPAC Name: 5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-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(-c3cnc(OC)c(C(=O)NC4(C#N)CCCC4)c3)cc12
• InChI: InChI=1S/C30H26F4N6O4/c1-36-26(42)22-20-12-19(17-11-21(27(43-2)37-13-17)25(41)40-29(14-35)9-3-4-10-29)24(38-15-30(32,33)34)39-28(20)44-23(22)16-5-7-18(31)8-6-16/h5-8,11-13H,3-4,9-10,15H2,1-2H3,(H,36,42)(H,38,39)(H,40,41)
• InChIKey: XWEHKGYFXBRSOQ-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 142.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.57
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 118390632) is 5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

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

The canonical SMILES for 5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-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(-c3cnc(OC)c(C(=O)NC4(C#N)CCCC4)c3)cc12.

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

The InChIKey is XWEHKGYFXBRSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N6O4/c1-36-26(42)22-20-12-19(17-11-21(27(43-2)37-13-17)25(41)40-29(14-35)9-3-4-10-29)24(38-15-30(32,33)34)39-28(20)44-23(22)16-5-7-18(31)8-6-16/h5-8,11-13H,3-4,9-10,15H2,1-2H3,(H,36,42)(H,38,39)(H,40,41).

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

5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 610.57 g/mol, XLogP of 5.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(1-cyanocyclopentyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118390632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).