N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide

C71H67ClF4N14O7 — CID 157416660

About N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide

N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide (PubChem CID 157416660) has the molecular formula C71H67ClF4N14O7 and a molecular weight of 1339.85 g/mol. Its IUPAC name is N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide
• PubChem CID: 157416660
• Molecular Formula: C71H67ClF4N14O7
• Molecular Weight: 1339.85 g/mol
• Exact Mass: 1338.49
• IUPAC Name: N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide
• SMILES: CCCN(CCO)c1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3OC)C2)c(OC)c1.CCCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C)C2)c(Cl)c1.Cn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)/N=c2\ccn(O)cc2F)C1
• InChI: InChI=1S/C27H30FN5O4.C24H22ClFN4O.C20H15F2N5O2/c1-4-11-32(12-13-34)21-9-10-22(24(15-21)36-2)31-27(35)19-14-23(29-16-19)26-25(30-17-33(26)37-3)18-5-7-20(28)8-6-18;1-3-4-15-5-10-20(19(25)11-15)29-24(31)17-12-21(27-13-17)23-22(28-14-30(23)2)16-6-8-18(26)9-7-16;1-26-11-24-18(12-2-4-14(21)5-3-12)19(26)17-8-13(9-23-17)20(28)25-16-6-7-27(29)10-15(16)22/h5-10,15-17,34H,4,11-14H2,1-3H3,(H,31,35);5-11,13-14H,3-4,12H2,1-2H3,(H,29,31);2-7,9-11,29H,8H2,1H3/b;;25-16+
• InChIKey: PIOVPCUUXJVGKZ-OBJGFXMZSA-N
• XLogP: 11.84
• TPSA: 245.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1339.85
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide?

The IUPAC name of N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide (CID 157416660) is N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide.

What is the SMILES notation for N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide?

The canonical SMILES for N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide is CCCN(CCO)c1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3OC)C2)c(OC)c1.CCCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C)C2)c(Cl)c1.Cn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)/N=c2\ccn(O)cc2F)C1.

What is the InChIKey of N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide?

The InChIKey is PIOVPCUUXJVGKZ-OBJGFXMZSA-N. The full InChI is InChI=1S/C27H30FN5O4.C24H22ClFN4O.C20H15F2N5O2/c1-4-11-32(12-13-34)21-9-10-22(24(15-21)36-2)31-27(35)19-14-23(29-16-19)26-25(30-17-33(26)37-3)18-5-7-20(28)8-6-18;1-3-4-15-5-10-20(19(25)11-15)29-24(31)17-12-21(27-13-17)23-22(28-14-30(23)2)16-6-8-18(26)9-7-16;1-26-11-24-18(12-2-4-14(21)5-3-12)19(26)17-8-13(9-23-17)20(28)25-16-6-7-27(29)10-15(16)22/h5-10,15-17,34H,4,11-14H2,1-3H3,(H,31,35);5-11,13-14H,3-4,12H2,1-2H3,(H,29,31);2-7,9-11,29H,8H2,1H3/b;;25-16+.

What are the key properties of N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide?

N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide has a molecular weight of 1339.85 g/mol, XLogP of 11.84, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(3-fluoro-1-hydroxy-4-pyridinylidene)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-[4-[2-hydroxyethyl(propyl)amino]-2-methoxyphenyl]-3H-pyrrole-4-carboxamide is sourced from PubChem (CID 157416660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).