N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide

C26H25F3N4O — CID 177116303

About N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide

N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 177116303) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide
• PubChem CID: 177116303
• Molecular Formula: C26H25F3N4O
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.20
• IUPAC Name: N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide
• SMILES: Cc1[nH]cnc1C(=O)NCCC1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C26H25F3N4O/c1-14-23(32-13-31-14)26(34)30-7-6-15-8-16(9-15)10-20-21-11-19(28)12-22(29)25(21)33-24(20)17-2-4-18(27)5-3-17/h2-5,11-13,15-16,33H,6-10H2,1H3,(H,30,34)(H,31,32)
• InChIKey: HUUMGTZVPOJTKI-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 73.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide?

The IUPAC name of N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide (CID 177116303) is N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide.

What is the SMILES notation for N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide?

The canonical SMILES for N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NCCC1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

What is the InChIKey of N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide?

The InChIKey is HUUMGTZVPOJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O/c1-14-23(32-13-31-14)26(34)30-7-6-15-8-16(9-15)10-20-21-11-19(28)12-22(29)25(21)33-24(20)17-2-4-18(27)5-3-17/h2-5,11-13,15-16,33H,6-10H2,1H3,(H,30,34)(H,31,32).

What are the key properties of N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide?

N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 5.67, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]ethyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 177116303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).