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

C34H38N8O4 — CID 153293842

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

5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 153293842) has the molecular formula C34H38N8O4 and a molecular weight of 622.73 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 153293842
• Molecular Formula: C34H38N8O4
• Molecular Weight: 622.73 g/mol
• Exact Mass: 622.30
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• SMILES: COCCOc1cc(NCc2ccc(OC)cc2)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C34H38N8O4/c1-22(2)42-21-37-40-33(42)27-6-5-7-32(38-27)39-34(43)26-16-30(41-19-29(36-20-41)24-10-11-24)31(46-15-14-44-3)17-28(26)35-18-23-8-12-25(45-4)13-9-23/h5-9,12-13,16-17,19-22,24,35H,10-11,14-15,18H2,1-4H3,(H,38,39,43)
• InChIKey: RBHLPRCUZKOGSX-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 130.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	622.73
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 153293842) is 5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

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

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is COCCOc1cc(NCc2ccc(OC)cc2)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.

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

The InChIKey is RBHLPRCUZKOGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O4/c1-22(2)42-21-37-40-33(42)27-6-5-7-32(38-27)39-34(43)26-16-30(41-19-29(36-20-41)24-10-11-24)31(46-15-14-44-3)17-28(26)35-18-23-8-12-25(45-4)13-9-23/h5-9,12-13,16-17,19-22,24,35H,10-11,14-15,18H2,1-4H3,(H,38,39,43).

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

5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 622.73 g/mol, XLogP of 5.88, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-4-(2-methoxyethoxy)-2-[(4-methoxyphenyl)methylamino]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 153293842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).