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

C25H26F3N3O — CID 162389506

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

N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide (PubChem CID 162389506) has the molecular formula C25H26F3N3O and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 162389506
• Molecular Formula: C25H26F3N3O
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.20
• IUPAC Name: N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide
• SMILES: CC1(C)CCC(C(=O)NC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)N1
• InChI: InChI=1S/C25H26F3N3O/c1-25(2)8-7-20(31-25)24(32)29-17-9-14(10-17)21-18-11-16(27)12-19(28)23(18)30-22(21)13-3-5-15(26)6-4-13/h3-6,11-12,14,17,20,30-31H,7-10H2,1-2H3,(H,29,32)
• InChIKey: PZEJZEHHIKZMBL-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 56.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide (CID 162389506) is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide.

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

The canonical SMILES for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide is CC1(C)CCC(C(=O)NC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)N1.

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

The InChIKey is PZEJZEHHIKZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O/c1-25(2)8-7-20(31-25)24(32)29-17-9-14(10-17)21-18-11-16(27)12-19(28)23(18)30-22(21)13-3-5-15(26)6-4-13/h3-6,11-12,14,17,20,30-31H,7-10H2,1-2H3,(H,29,32).

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

N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-5,5-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 162389506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).