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

C25H26F3N3O2 — CID 166687126

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

N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 166687126) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide
• PubChem CID: 166687126
• Molecular Formula: C25H26F3N3O2
• Molecular Weight: 457.50 g/mol
• Exact Mass: 457.20
• IUPAC Name: N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide
• SMILES: NC1(CNC(=O)C2CC(Cc3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)CCOC1
• InChI: InChI=1S/C25H26F3N3O2/c26-17-3-1-15(2-4-17)22-19(20-10-18(27)11-21(28)23(20)31-22)9-14-7-16(8-14)24(32)30-12-25(29)5-6-33-13-25/h1-4,10-11,14,16,31H,5-9,12-13,29H2,(H,30,32)
• InChIKey: OTZXRZGAYPWQJM-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 80.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.50
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide (CID 166687126) is N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide.

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

The canonical SMILES for N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide is NC1(CNC(=O)C2CC(Cc3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)CCOC1.

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

The InChIKey is OTZXRZGAYPWQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c26-17-3-1-15(2-4-17)22-19(20-10-18(27)11-21(28)23(20)31-22)9-14-7-16(8-14)24(32)30-12-25(29)5-6-33-13-25/h1-4,10-11,14,16,31H,5-9,12-13,29H2,(H,30,32).

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

N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-aminooxolan-3-yl)methyl]-3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166687126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).