5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C33H36N8O2 — CID 153293802

About 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 153293802) has the molecular formula C33H36N8O2 and a molecular weight of 576.71 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 153293802
• Molecular Formula: C33H36N8O2
• Molecular Weight: 576.71 g/mol
• Exact Mass: 576.30
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• SMILES: COc1ccc(CNc2cc(C)c(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(-c3nnc(C)n3C(C)C)n2)cc1
• InChI: InChI=1S/C33H36N8O2/c1-20(2)41-22(4)38-39-32(41)27-7-6-8-31(36-27)37-33(42)26-16-30(40-18-29(35-19-40)24-11-12-24)21(3)15-28(26)34-17-23-9-13-25(43-5)14-10-23/h6-10,13-16,18-20,24,34H,11-12,17H2,1-5H3,(H,36,37,42)
• InChIKey: ITNKFPZRSVGIER-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 111.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.71
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 153293802) is 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is COc1ccc(CNc2cc(C)c(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(-c3nnc(C)n3C(C)C)n2)cc1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The InChIKey is ITNKFPZRSVGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N8O2/c1-20(2)41-22(4)38-39-32(41)27-7-6-8-31(36-27)37-33(42)26-16-30(40-18-29(35-19-40)24-11-12-24)21(3)15-28(26)34-17-23-9-13-25(43-5)14-10-23/h6-10,13-16,18-20,24,34H,11-12,17H2,1-5H3,(H,36,37,42).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 576.71 g/mol, XLogP of 6.47, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methyl-N-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 153293802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).