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

C29H24F4N6O4 — CID 118390631

About 5-[5-[(1-cyanocyclobutyl)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-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118390631) has the molecular formula C29H24F4N6O4 and a molecular weight of 596.54 g/mol. Its IUPAC name is 5-[5-[(1-cyanocyclobutyl)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-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 118390631
• Molecular Formula: C29H24F4N6O4
• Molecular Weight: 596.54 g/mol
• Exact Mass: 596.18
• IUPAC Name: 5-[5-[(1-cyanocyclobutyl)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)CCC4)c3)cc12
• InChI: InChI=1S/C29H24F4N6O4/c1-35-25(41)21-19-11-18(16-10-20(26(42-2)36-12-16)24(40)39-28(13-34)8-3-9-28)23(37-14-29(31,32)33)38-27(19)43-22(21)15-4-6-17(30)7-5-15/h4-7,10-12H,3,8-9,14H2,1-2H3,(H,35,41)(H,37,38)(H,39,40)
• InChIKey: JWKUCXTZHUPMBQ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 142.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.54
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1-cyanocyclobutyl)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-cyanocyclobutyl)carbamoyl]-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 118390631) is 5-[5-[(1-cyanocyclobutyl)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-cyanocyclobutyl)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-cyanocyclobutyl)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)CCC4)c3)cc12.

What is the InChIKey of 5-[5-[(1-cyanocyclobutyl)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 JWKUCXTZHUPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F4N6O4/c1-35-25(41)21-19-11-18(16-10-20(26(42-2)36-12-16)24(40)39-28(13-34)8-3-9-28)23(37-14-29(31,32)33)38-27(19)43-22(21)15-4-6-17(30)7-5-15/h4-7,10-12H,3,8-9,14H2,1-2H3,(H,35,41)(H,37,38)(H,39,40).

What are the key properties of 5-[5-[(1-cyanocyclobutyl)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-cyanocyclobutyl)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 596.54 g/mol, XLogP of 5.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(1-cyanocyclobutyl)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 118390631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).