5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide

C60H46F4N8O6 — CID 144928413

About 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide

5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide (PubChem CID 144928413) has the molecular formula C60H46F4N8O6 and a molecular weight of 1051.07 g/mol. Its IUPAC name is 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide
• PubChem CID: 144928413
• Molecular Formula: C60H46F4N8O6
• Molecular Weight: 1051.07 g/mol
• Exact Mass: 1050.35
• IUPAC Name: 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC3(c4ncccn4)CC3)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NCC(C)(F)F)c1)c1[nH]ccc12
• InChI: InChI=1S/C32H24FN5O3.C28H22F3N3O3/c1-34-30(40)25-24-17-23(26-22(10-15-35-26)28(24)41-27(25)18-6-8-21(33)9-7-18)19-4-2-5-20(16-19)29(39)38-32(11-12-32)31-36-13-3-14-37-31;1-28(30,31)14-34-26(35)17-5-3-4-16(12-17)20-13-21-22(27(36)32-2)24(15-6-8-18(29)9-7-15)37-25(21)19-10-11-33-23(19)20/h2-10,13-17,35H,11-12H2,1H3,(H,34,40)(H,38,39);3-13,33H,14H2,1-2H3,(H,32,36)(H,34,35)
• InChIKey: FUMWQSIPLVDKKA-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 200.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.07
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide?

The IUPAC name of 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide (CID 144928413) is 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide.

What is the SMILES notation for 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide?

The canonical SMILES for 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NC3(c4ncccn4)CC3)c1)c1[nH]ccc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(-c1cccc(C(=O)NCC(C)(F)F)c1)c1[nH]ccc12.

What is the InChIKey of 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide?

The InChIKey is FUMWQSIPLVDKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN5O3.C28H22F3N3O3/c1-34-30(40)25-24-17-23(26-22(10-15-35-26)28(24)41-27(25)18-6-8-21(33)9-7-18)19-4-2-5-20(16-19)29(39)38-32(11-12-32)31-36-13-3-14-37-31;1-28(30,31)14-34-26(35)17-5-3-4-16(12-17)20-13-21-22(27(36)32-2)24(15-6-8-18(29)9-7-15)37-25(21)19-10-11-33-23(19)20/h2-10,13-17,35H,11-12H2,1H3,(H,34,40)(H,38,39);3-13,33H,14H2,1-2H3,(H,32,36)(H,34,35).

What are the key properties of 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide?

5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide has a molecular weight of 1051.07 g/mol, XLogP of 12.09, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 144928413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).