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

C₂₃H₂₀F₃N₅O — CID 156816069

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 156816069) has the molecular formula C₂₃H₂₀F₃N₅O and a molecular weight of 439.44 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide
• PubChem CID: 156816069
• Molecular Formula: C₂₃H₂₀F₃N₅O
• Molecular Weight: 439.44 g/mol
• Exact Mass: 439.16
• IUPAC Name: 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide
• SMILES: Cn1ncc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)n1
• InChI: InChI=1S/C23H20F3N5O/c1-31-28-11-17(30-31)10-27-23(32)14-6-13(7-14)20-18-8-16(25)9-19(26)22(18)29-21(20)12-2-4-15(24)5-3-12/h2-5,8-9,11,13-14,29H,6-7,10H2,1H3,(H,27,32)
• InChIKey: OBEWYQFRLHZTQQ-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.44
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide (CID 156816069) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide.

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

The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide is Cn1ncc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)n1.

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

The InChIKey is OBEWYQFRLHZTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-31-28-11-17(30-31)10-27-23(32)14-6-13(7-14)20-18-8-16(25)9-19(26)22(18)29-21(20)12-2-4-15(24)5-3-12/h2-5,8-9,11,13-14,29H,6-7,10H2,1H3,(H,27,32).

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methyltriazol-4-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 156816069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156816069 — identifiers, structure, computed properties (public domain)

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