(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone

C113H100ClF22N15O10 — CID 162129771

IUPAC(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
SMILESCC(F)(F)c1cc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc(C(F)(F)F)c1.CC(F)(F)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c1.CC1C=CC=C(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C24H19F8N3O2.C23H20F5N3O2.C22H19ClF3N3O2.C22H20F3N3O2.C22H22F3N3O2/c1-22(25,26)16-9-14(10-17(12-16)24(30,31)32)20(36)34-4-6-35(7-5-34)21(37)19-11-13-8-15(23(27,28)29)2-3-18(13)33-19;1-22(24,25)16-4-2-3-14(11-16)20(32)30-7-9-31(10-8-30)21(33)19-13-15-12-17(23(26,27)28)5-6-18(15)29-19;1-13-2-4-16(17(23)10-13)20(30)28-6-8-29(9-7-28)21(31)19-12-14-11-15(22(24,25)26)3-5-18(14)27-19;1-14-2-4-15(5-3-14)20(29)27-8-10-28(11-9-27)21(30)19-13-16-12-17(22(23,24)25)6-7-18(16)26-19;1-14-3-2-4-15(11-14)20(29)27-7-9-28(10-8-27)21(30)19-13-16-12-17(22(23,24)25)5-6-18(16)26-19/h2-3,8-12,33H,4-7H2,1H3;2-6,11-13,29H,7-10H2,1H3;2-5,10-12,27H,6-9H2,1H3;2-7,12-13,26H,8-11H2,1H3;2-6,12-14,26H,7-11H2,1H3
InChIKeyZIMYCZZNLKNJMF-UHFFFAOYSA-N
MW2281.55 g/mol
LogP23.65
Rot. Bonds12

About (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone

(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 162129771) has the molecular formula C113H100ClF22N15O10 and a molecular weight of 2281.55 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
PubChem CID162129771
Molecular FormulaC113H100ClF22N15O10
Molecular Weight2281.55 g/mol
Exact Mass2279.71
IUPAC Name(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
SMILESCC(F)(F)c1cc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc(C(F)(F)F)c1.CC(F)(F)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c1.CC1C=CC=C(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C24H19F8N3O2.C23H20F5N3O2.C22H19ClF3N3O2.C22H20F3N3O2.C22H22F3N3O2/c1-22(25,26)16-9-14(10-17(12-16)24(30,31)32)20(36)34-4-6-35(7-5-34)21(37)19-11-13-8-15(23(27,28)29)2-3-18(13)33-19;1-22(24,25)16-4-2-3-14(11-16)20(32)30-7-9-31(10-8-30)21(33)19-13-15-12-17(23(26,27)28)5-6-18(15)29-19;1-13-2-4-16(17(23)10-13)20(30)28-6-8-29(9-7-28)21(31)19-12-14-11-15(22(24,25)26)3-5-18(14)27-19;1-14-2-4-15(5-3-14)20(29)27-8-10-28(11-9-27)21(30)19-13-16-12-17(22(23,24)25)6-7-18(16)26-19;1-14-3-2-4-15(11-14)20(29)27-7-9-28(10-8-27)21(30)19-13-16-12-17(22(23,24)25)5-6-18(16)26-19/h2-3,8-12,33H,4-7H2,1H3;2-6,11-13,29H,7-10H2,1H3;2-5,10-12,27H,6-9H2,1H3;2-7,12-13,26H,8-11H2,1H3;2-6,12-14,26H,7-11H2,1H3
InChIKeyZIMYCZZNLKNJMF-UHFFFAOYSA-N
XLogP23.65
TPSA282.05 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002281.55
LogP ≤ 523.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 157125572
2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 157131904
N-[[5-[2-[2-(2-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157743557
(4-Fluorophenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(3-methylphenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 157791330
[1-(4-Chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 157809192
(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)-3-fluorophenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 157859090
pentakis(carbon dioxide);N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-difluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158097779
hexakis(carbon dioxide);N-[(1R)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158403841
(4-benzhydrylpiperazin-1-yl)-(5-tert-butyl-3-methyl-1H-indol-2-yl)methanone;(4-benzhydrylpiperazin-1-yl)-(2-chloroquinolin-3-yl)methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 158421019
N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)
CID 158686266
CID 158910826
CID 158910826
(4-Tert-butylphenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(4-chlorophenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone;(2-methylphenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 159165558

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone (CID 162129771) is (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone is CC(F)(F)c1cc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc(C(F)(F)F)c1.CC(F)(F)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c1.CC1C=CC=C(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)C1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1.Cc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1.
What is the InChIKey of (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is ZIMYCZZNLKNJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F8N3O2.C23H20F5N3O2.C22H19ClF3N3O2.C22H20F3N3O2.C22H22F3N3O2/c1-22(25,26)16-9-14(10-17(12-16)24(30,31)32)20(36)34-4-6-35(7-5-34)21(37)19-11-13-8-15(23(27,28)29)2-3-18(13)33-19;1-22(24,25)16-4-2-3-14(11-16)20(32)30-7-9-31(10-8-30)21(33)19-13-15-12-17(23(26,27)28)5-6-18(15)29-19;1-13-2-4-16(17(23)10-13)20(30)28-6-8-29(9-7-28)21(31)19-12-14-11-15(22(24,25)26)3-5-18(14)27-19;1-14-2-4-15(5-3-14)20(29)27-8-10-28(11-9-27)21(30)19-13-16-12-17(22(23,24)25)6-7-18(16)26-19;1-14-3-2-4-15(11-14)20(29)27-7-9-28(10-8-27)21(30)19-13-16-12-17(22(23,24)25)5-6-18(16)26-19/h2-3,8-12,33H,4-7H2,1H3;2-6,11-13,29H,7-10H2,1H3;2-5,10-12,27H,6-9H2,1H3;2-7,12-13,26H,8-11H2,1H3;2-6,12-14,26H,7-11H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 2281.55 g/mol, XLogP of 23.65, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 162129771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).