N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide

C26H24FN5O — CID 23113722

About N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide

N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide (PubChem CID 23113722) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide
• PubChem CID: 23113722
• Molecular Formula: C26H24FN5O
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.20
• IUPAC Name: N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide
• SMILES: Cc1cc(C)cc(NC(=O)N2C(c3cccc(F)c3)c3[nH]c4nccnc4c3CC23CC3)c1
• InChI: InChI=1S/C26H24FN5O/c1-15-10-16(2)12-19(11-15)30-25(33)32-23(17-4-3-5-18(27)13-17)21-20(14-26(32)6-7-26)22-24(31-21)29-9-8-28-22/h3-5,8-13,23H,6-7,14H2,1-2H3,(H,29,31)(H,30,33)
• InChIKey: ANVMJDGBZOAODL-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide?

The IUPAC name of N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide (CID 23113722) is N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide.

What is the SMILES notation for N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide?

The canonical SMILES for N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide is Cc1cc(C)cc(NC(=O)N2C(c3cccc(F)c3)c3[nH]c4nccnc4c3CC23CC3)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide?

The InChIKey is ANVMJDGBZOAODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-15-10-16(2)12-19(11-15)30-25(33)32-23(17-4-3-5-18(27)13-17)21-20(14-26(32)6-7-26)22-24(31-21)29-9-8-28-22/h3-5,8-13,23H,6-7,14H2,1-2H3,(H,29,31)(H,30,33).

What are the key properties of N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide?

N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 5.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)spiro[3,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-12,1'-cyclopropane]-11-carboxamide is sourced from PubChem (CID 23113722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).