N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid

C74H66ClF4N13O10 — CID 159759767

IUPACN-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1CC(=O)c1cnc(-c2c(-c3ccc(F)cc3)ncn2OC)[nH]1.COn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(C(C)=O)cc2Cl)C1.COn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(N3CCCCC3)cc2F)C1
InChIInChI=1S/C26H25F2N5O2.C25H23FN4O5.C23H18ClFN4O3/c1-35-33-16-30-24(17-5-7-19(27)8-6-17)25(33)23-13-18(15-29-23)26(34)31-22-10-9-20(14-21(22)28)32-11-3-2-4-12-32;1-34-21-11-15(4-10-22(32)33)3-5-17(21)12-20(31)19-13-27-25(29-19)24-23(28-14-30(24)35-2)16-6-8-18(26)9-7-16;1-13(30)15-5-8-19(18(24)9-15)28-23(31)16-10-20(26-11-16)22-21(27-12-29(22)32-2)14-3-6-17(25)7-4-14/h5-10,14-16H,2-4,11-13H2,1H3,(H,31,34);3,5-9,11,13-14H,4,10,12H2,1-2H3,(H,27,29)(H,32,33);3-9,11-12H,10H2,1-2H3,(H,28,31)
InChIKeyNESMZFOUOIWWOJ-UHFFFAOYSA-N
MW1408.87 g/mol
LogP12.50
Rot. Bonds22

About N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid

N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid (PubChem CID 159759767) has the molecular formula C74H66ClF4N13O10 and a molecular weight of 1408.87 g/mol. Its IUPAC name is N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid.

Molecular Properties

Compound NameN-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid
PubChem CID159759767
Molecular FormulaC74H66ClF4N13O10
Molecular Weight1408.87 g/mol
Exact Mass1407.47
IUPAC NameN-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1CC(=O)c1cnc(-c2c(-c3ccc(F)cc3)ncn2OC)[nH]1.COn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(C(C)=O)cc2Cl)C1.COn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(N3CCCCC3)cc2F)C1
InChIInChI=1S/C26H25F2N5O2.C25H23FN4O5.C23H18ClFN4O3/c1-35-33-16-30-24(17-5-7-19(27)8-6-17)25(33)23-13-18(15-29-23)26(34)31-22-10-9-20(14-21(22)28)32-11-3-2-4-12-32;1-34-21-11-15(4-10-22(32)33)3-5-17(21)12-20(31)19-13-27-25(29-19)24-23(28-14-30(24)35-2)16-6-8-18(26)9-7-16;1-13(30)15-5-8-19(18(24)9-15)28-23(31)16-10-20(26-11-16)22-21(27-12-29(22)32-2)14-3-6-17(25)7-4-14/h5-10,14-16H,2-4,11-13H2,1H3,(H,31,34);3,5-9,11,13-14H,4,10,12H2,1-2H3,(H,27,29)(H,32,33);3-9,11-12H,10H2,1-2H3,(H,28,31)
InChIKeyNESMZFOUOIWWOJ-UHFFFAOYSA-N
XLogP12.50
TPSA276.66 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001408.87
LogP ≤ 512.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid?
The IUPAC name of N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid (CID 159759767) is N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid.
What is the SMILES notation for N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid?
The canonical SMILES for N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid is COc1cc(CCC(=O)O)ccc1CC(=O)c1cnc(-c2c(-c3ccc(F)cc3)ncn2OC)[nH]1.COn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(C(C)=O)cc2Cl)C1.COn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(N3CCCCC3)cc2F)C1.
What is the InChIKey of N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid?
The InChIKey is NESMZFOUOIWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2.C25H23FN4O5.C23H18ClFN4O3/c1-35-33-16-30-24(17-5-7-19(27)8-6-17)25(33)23-13-18(15-29-23)26(34)31-22-10-9-20(14-21(22)28)32-11-3-2-4-12-32;1-34-21-11-15(4-10-22(32)33)3-5-17(21)12-20(31)19-13-27-25(29-19)24-23(28-14-30(24)35-2)16-6-8-18(26)9-7-16;1-13(30)15-5-8-19(18(24)9-15)28-23(31)16-10-20(26-11-16)22-21(27-12-29(22)32-2)14-3-6-17(25)7-4-14/h5-10,14-16H,2-4,11-13H2,1H3,(H,31,34);3,5-9,11,13-14H,4,10,12H2,1-2H3,(H,27,29)(H,32,33);3-9,11-12H,10H2,1-2H3,(H,28,31).
What are the key properties of N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid?
N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid has a molecular weight of 1408.87 g/mol, XLogP of 12.50, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid is sourced from PubChem (CID 159759767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).