2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide

C31H27FN4O3 — CID 67963121

About 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide (PubChem CID 67963121) has the molecular formula C31H27FN4O3 and a molecular weight of 522.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide
• PubChem CID: 67963121
• Molecular Formula: C31H27FN4O3
• Molecular Weight: 522.58 g/mol
• Exact Mass: 522.21
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide
• SMILES: CNC(=O)C1c2nc(-c3cc(C(=O)NC4(c5ccccn5)CC4)ccc3C)ccc2OC1c1ccc(F)cc1
• InChI: InChI=1S/C31H27FN4O3/c1-18-6-7-20(29(37)36-31(14-15-31)25-5-3-4-16-34-25)17-22(18)23-12-13-24-27(35-23)26(30(38)33-2)28(39-24)19-8-10-21(32)11-9-19/h3-13,16-17,26,28H,14-15H2,1-2H3,(H,33,38)(H,36,37)
• InChIKey: YMAVDBGQVNWHPJ-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.58
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide (CID 67963121) is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide is CNC(=O)C1c2nc(-c3cc(C(=O)NC4(c5ccccn5)CC4)ccc3C)ccc2OC1c1ccc(F)cc1.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide?

The InChIKey is YMAVDBGQVNWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O3/c1-18-6-7-20(29(37)36-31(14-15-31)25-5-3-4-16-34-25)17-22(18)23-12-13-24-27(35-23)26(30(38)33-2)28(39-24)19-8-10-21(32)11-9-19/h3-13,16-17,26,28H,14-15H2,1-2H3,(H,33,38)(H,36,37).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 67963121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).