N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid

C73H65ClF4N14O7 — CID 159870665

IUPACN-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid
SMILESCC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C)C2)c(F)c1.COc1cc(C(=O)O)ccc1CC(=O)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C)[nH]1.Cn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(N3CCNCC3)cc2Cl)C1
InChIInChI=1S/C25H24ClFN6O.C25H22F2N4O2.C23H19FN4O4/c1-32-15-30-23(16-2-4-18(27)5-3-16)24(32)22-12-17(14-29-22)25(34)31-21-7-6-19(13-20(21)26)33-10-8-28-9-11-33;1-15(32)3-4-16-5-10-21(20(27)11-16)30-25(33)18-12-22(28-13-18)24-23(29-14-31(24)2)17-6-8-19(26)9-7-17;1-28-12-26-20(13-5-7-16(24)8-6-13)21(28)22-25-11-17(27-22)18(29)9-14-3-4-15(23(30)31)10-19(14)32-2/h2-7,13-15,28H,8-12H2,1H3,(H,31,34);5-11,13-14H,3-4,12H2,1-2H3,(H,30,33);3-8,10-12H,9H2,1-2H3,(H,25,27)(H,30,31)
InChIKeyNSHLHVBYRVBVOJ-UHFFFAOYSA-N
MW1361.86 g/mol
LogP12.36
Rot. Bonds19

About N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid

N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid (PubChem CID 159870665) has the molecular formula C73H65ClF4N14O7 and a molecular weight of 1361.86 g/mol. Its IUPAC name is N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid.

Molecular Properties

Compound NameN-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid
PubChem CID159870665
Molecular FormulaC73H65ClF4N14O7
Molecular Weight1361.86 g/mol
Exact Mass1360.48
IUPAC NameN-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid
SMILESCC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C)C2)c(F)c1.COc1cc(C(=O)O)ccc1CC(=O)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C)[nH]1.Cn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(N3CCNCC3)cc2Cl)C1
InChIInChI=1S/C25H24ClFN6O.C25H22F2N4O2.C23H19FN4O4/c1-32-15-30-23(16-2-4-18(27)5-3-16)24(32)22-12-17(14-29-22)25(34)31-21-7-6-19(13-20(21)26)33-10-8-28-9-11-33;1-15(32)3-4-16-5-10-21(20(27)11-16)30-25(33)18-12-22(28-13-18)24-23(29-14-31(24)2)17-6-8-19(26)9-7-17;1-28-12-26-20(13-5-7-16(24)8-6-13)21(28)22-25-11-17(27-22)18(29)9-14-3-4-15(23(30)31)10-19(14)32-2/h2-7,13-15,28H,8-12H2,1H3,(H,31,34);5-11,13-14H,3-4,12H2,1-2H3,(H,30,33);3-8,10-12H,9H2,1-2H3,(H,25,27)(H,30,31)
InChIKeyNSHLHVBYRVBVOJ-UHFFFAOYSA-N
XLogP12.36
TPSA261.00 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.86
LogP ≤ 512.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid with MolForge

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Related Compounds

N-[2-chloro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-(trifluoromethyl)imidazol-4-yl]-3H-pyrrole-4-carboxamide;3-fluoro-4-[[2-[5-(4-fluorophenyl)-3-(trifluoromethyl)imidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]benzoic acid;2-[5-(4-fluorophenyl)-3-(trifluoromethyl)imidazol-4-yl]-N-(2-methoxy-4-piperazin-1-ylphenyl)-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-(trifluoromethyl)imidazol-4-yl]-N-(2-methoxy-4-propylphenyl)-3H-pyrrole-4-carboxamide
CID 157476372
bis(methyl N-[(2S)-1-[(2S,4S)-2-[5-[4-[5-chloro-4-[[6-[(2R)-4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate);methyl N-[(2S)-1-[(2S,4S)-2-[5-chloro-4-[4-[4-[[6-[(2R)-4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]-3-pyridinyl]carbamoyl]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-[4-[4-[[6-[(2R)-4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridine-3-carbonyl]amino]-5-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159324263
N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-(2-chloro-4-propylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid
CID 157346706
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[4-(1-methoxyethenyl)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone
CID 158013517
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]propan-1-one;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone
CID 158362983
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
4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]benzamide;1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-[4-(diethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone
CID 159935304
2-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-chloro-4-(2-hydroxyethyl)phenyl]-3H-pyrrole-4-carboxamide;2-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-1-methylpyridin-1-ium-4-yl)-1H-imidazole-5-carboxamide;1-[2-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazol-5-yl]-2-[4-(1-hydroxyethenyl)-2-methoxyphenyl]ethanone;3-[4-[[2-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-3H-pyrrole-4-carbonyl]amino]-3-fluorophenyl]propanoic acid
CID 161810549
2-Chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid;bis(1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid);methyl 1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 167538458
bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid
CID 167610260

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid?
The IUPAC name of N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid (CID 159870665) is N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid.
What is the SMILES notation for N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid?
The canonical SMILES for N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid is CC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C)C2)c(F)c1.COc1cc(C(=O)O)ccc1CC(=O)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C)[nH]1.Cn1cnc(-c2ccc(F)cc2)c1C1=NC=C(C(=O)Nc2ccc(N3CCNCC3)cc2Cl)C1.
What is the InChIKey of N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid?
The InChIKey is NSHLHVBYRVBVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O.C25H22F2N4O2.C23H19FN4O4/c1-32-15-30-23(16-2-4-18(27)5-3-16)24(32)22-12-17(14-29-22)25(34)31-21-7-6-19(13-20(21)26)33-10-8-28-9-11-33;1-15(32)3-4-16-5-10-21(20(27)11-16)30-25(33)18-12-22(28-13-18)24-23(29-14-31(24)2)17-6-8-19(26)9-7-17;1-28-12-26-20(13-5-7-16(24)8-6-13)21(28)22-25-11-17(27-22)18(29)9-14-3-4-15(23(30)31)10-19(14)32-2/h2-7,13-15,28H,8-12H2,1H3,(H,31,34);5-11,13-14H,3-4,12H2,1-2H3,(H,30,33);3-8,10-12H,9H2,1-2H3,(H,25,27)(H,30,31).
What are the key properties of N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid?
N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid has a molecular weight of 1361.86 g/mol, XLogP of 12.36, 19 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-piperazin-1-ylphenyl)-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;N-[2-fluoro-4-(3-oxobutyl)phenyl]-2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3H-pyrrole-4-carboxamide;4-[2-[2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxybenzoic acid is sourced from PubChem (CID 159870665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).