5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

C31H29F4N3O4 — CID 118896146

About 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118896146) has the molecular formula C31H29F4N3O4 and a molecular weight of 583.58 g/mol. Its IUPAC name is 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 118896146
• Molecular Formula: C31H29F4N3O4
• Molecular Weight: 583.58 g/mol
• Exact Mass: 583.21
• IUPAC Name: 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(COC)C4CC4)c3)cc12
• InChI: InChI=1S/C31H29F4N3O4/c1-36-29(40)26-23-15-22(19-4-3-5-20(14-19)28(39)37-25(16-41-2)17-6-7-17)24(12-13-31(33,34)35)38-30(23)42-27(26)18-8-10-21(32)11-9-18/h3-5,8-11,14-15,17,25H,6-7,12-13,16H2,1-2H3,(H,36,40)(H,37,39)
• InChIKey: DCTJZKJFNOLAKE-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.58
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 118896146) is 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

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

The canonical SMILES for 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(COC)C4CC4)c3)cc12.

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

The InChIKey is DCTJZKJFNOLAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F4N3O4/c1-36-29(40)26-23-15-22(19-4-3-5-20(14-19)28(39)37-25(16-41-2)17-6-7-17)24(12-13-31(33,34)35)38-30(23)42-27(26)18-8-10-21(32)11-9-18/h3-5,8-11,14-15,17,25H,6-7,12-13,16H2,1-2H3,(H,36,40)(H,37,39).

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

5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 583.58 g/mol, XLogP of 6.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118896146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).