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

C98H78ClF17N18O9 — CID 157476372

IUPACN-[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
SMILESCC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(F)(F)F)C2)c(Cl)c1.CCCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(F)(F)F)C2)c(OC)c1.COc1cc(N2CCNCC2)ccc1NC(=O)C1=CN=C(c2c(-c3ccc(F)cc3)ncn2C(F)(F)F)C1.O=C(Nc1ccc(C(=O)O)cc1F)C1=CN=C(c2c(-c3ccc(F)cc3)ncn2C(F)(F)F)C1
InChIInChI=1S/C26H24F4N6O2.C25H19ClF4N4O2.C25H22F4N4O2.C22H13F5N4O3/c1-38-22-13-19(35-10-8-31-9-11-35)6-7-20(22)34-25(37)17-12-21(32-14-17)24-23(16-2-4-18(27)5-3-16)33-15-36(24)26(28,29)30;1-14(35)2-3-15-4-9-20(19(26)10-15)33-24(36)17-11-21(31-12-17)23-22(16-5-7-18(27)8-6-16)32-13-34(23)25(28,29)30;1-3-4-15-5-10-19(21(11-15)35-2)32-24(34)17-12-20(30-13-17)23-22(16-6-8-18(26)9-7-16)31-14-33(23)25(27,28)29;23-14-4-1-11(2-5-14)18-19(31(10-29-18)22(25,26)27)17-8-13(9-28-17)20(32)30-16-6-3-12(21(33)34)7-15(16)24/h2-7,13-15,31H,8-12H2,1H3,(H,34,37);4-10,12-13H,2-3,11H2,1H3,(H,33,36);5-11,13-14H,3-4,12H2,1-2H3,(H,32,34);1-7,9-10H,8H2,(H,30,32)(H,33,34)
InChIKeyBVQFQSFELCRPBU-UHFFFAOYSA-N
MW2010.24 g/mol
LogP20.92
Rot. Bonds25

About 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

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 (PubChem CID 157476372) has the molecular formula C98H78ClF17N18O9 and a molecular weight of 2010.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157476372
Molecular FormulaC98H78ClF17N18O9
Molecular Weight2010.24 g/mol
Exact Mass2008.56
IUPAC NameN-[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
SMILESCC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(F)(F)F)C2)c(Cl)c1.CCCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(F)(F)F)C2)c(OC)c1.COc1cc(N2CCNCC2)ccc1NC(=O)C1=CN=C(c2c(-c3ccc(F)cc3)ncn2C(F)(F)F)C1.O=C(Nc1ccc(C(=O)O)cc1F)C1=CN=C(c2c(-c3ccc(F)cc3)ncn2C(F)(F)F)C1
InChIInChI=1S/C26H24F4N6O2.C25H19ClF4N4O2.C25H22F4N4O2.C22H13F5N4O3/c1-38-22-13-19(35-10-8-31-9-11-35)6-7-20(22)34-25(37)17-12-21(32-14-17)24-23(16-2-4-18(27)5-3-16)33-15-36(24)26(28,29)30;1-14(35)2-3-15-4-9-20(19(26)10-15)33-24(36)17-11-21(31-12-17)23-22(16-5-7-18(27)8-6-16)32-13-34(23)25(28,29)30;1-3-4-15-5-10-19(21(11-15)35-2)32-24(34)17-12-20(30-13-17)23-22(16-6-8-18(26)9-7-16)31-14-33(23)25(27,28)29;23-14-4-1-11(2-5-14)18-19(31(10-29-18)22(25,26)27)17-8-13(9-28-17)20(32)30-16-6-3-12(21(33)34)7-15(16)24/h2-7,13-15,31H,8-12H2,1H3,(H,34,37);4-10,12-13H,2-3,11H2,1H3,(H,33,36);5-11,13-14H,3-4,12H2,1-2H3,(H,32,34);1-7,9-10H,8H2,(H,30,32)(H,33,34)
InChIKeyBVQFQSFELCRPBU-UHFFFAOYSA-N
XLogP20.92
TPSA325.22 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.24
LogP ≤ 520.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(F)(F)F)C2)c(Cl)c1.CCCc1ccc(NC(=O)C2=CN=C(c3c(-c4ccc(F)cc4)ncn3C(F)(F)F)C2)c(OC)c1.COc1cc(N2CCNCC2)ccc1NC(=O)C1=CN=C(c2c(-c3ccc(F)cc3)ncn2C(F)(F)F)C1.O=C(Nc1ccc(C(=O)O)cc1F)C1=CN=C(c2c(-c3ccc(F)cc3)ncn2C(F)(F)F)C1.
What is the InChIKey of 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?
The InChIKey is BVQFQSFELCRPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N6O2.C25H19ClF4N4O2.C25H22F4N4O2.C22H13F5N4O3/c1-38-22-13-19(35-10-8-31-9-11-35)6-7-20(22)34-25(37)17-12-21(32-14-17)24-23(16-2-4-18(27)5-3-16)33-15-36(24)26(28,29)30;1-14(35)2-3-15-4-9-20(19(26)10-15)33-24(36)17-11-21(31-12-17)23-22(16-5-7-18(27)8-6-16)32-13-34(23)25(28,29)30;1-3-4-15-5-10-19(21(11-15)35-2)32-24(34)17-12-20(30-13-17)23-22(16-6-8-18(26)9-7-16)31-14-33(23)25(27,28)29;23-14-4-1-11(2-5-14)18-19(31(10-29-18)22(25,26)27)17-8-13(9-28-17)20(32)30-16-6-3-12(21(33)34)7-15(16)24/h2-7,13-15,31H,8-12H2,1H3,(H,34,37);4-10,12-13H,2-3,11H2,1H3,(H,33,36);5-11,13-14H,3-4,12H2,1-2H3,(H,32,34);1-7,9-10H,8H2,(H,30,32)(H,33,34).
What are the key properties of 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?
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 has a molecular weight of 2010.24 g/mol, XLogP of 20.92, 25 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157476372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).