heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C239H215Cl3F8N16O23 — CID 158108496

IUPACheptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)cn1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC4CC4)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cncc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3c(F)cccc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc12.Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c(F)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C35H34N2O2.C34H35N3O.C33H28ClF3N2O.C33H28F4N2O.C33H31FN2O.C32H28Cl2N2O.C32H31N3O2.7CO2/c1-23-25(3)37(22-26-12-14-28(15-13-26)27-8-5-4-6-9-27)34-19-16-30(21-33(23)34)35(38)36-24(2)29-10-7-11-32(20-29)39-31-17-18-31;1-22(2)30-17-31(20-35-19-30)24(4)36-34(38)29-15-16-33-32(18-29)23(3)25(5)37(33)21-26-11-13-28(14-12-26)27-9-7-6-8-10-27;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(40)38-21(2)29-18-27(33(35,36)37)14-15-30(29)34;1-20-22(3)39(19-23-12-14-25(15-13-23)24-8-5-4-6-9-24)30-17-16-26(18-27(20)30)32(40)38-21(2)31-28(33(35,36)37)10-7-11-29(31)34;1-21-10-16-29(31(34)18-21)23(3)35-33(37)28-15-17-32-30(19-28)22(2)24(4)36(32)20-25-11-13-27(14-12-25)26-8-6-5-7-9-26;1-20-22(3)36(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-29(20)31)32(37)35-21(2)28-15-14-27(33)18-30(28)34;1-21-23(3)35(20-24-10-12-26(13-11-24)25-8-6-5-7-9-25)30-16-14-27(18-29(21)30)32(36)34-22(2)28-15-17-31(37-4)33-19-28;7*2-1-3/h4-16,19-21,24,31H,17-18,22H2,1-3H3,(H,36,38);6-20,22,24H,21H2,1-5H3,(H,36,38);2*4-18,21H,19H2,1-3H3,(H,38,40);5-19,23H,20H2,1-4H3,(H,35,37);4-18,21H,19H2,1-3H3,(H,35,37);5-19,22H,20H2,1-4H3,(H,34,36);;;;;;;/t2*24-;2*21-;23-;21-;22-;;;;;;;/m0011110......./s1
InChIKeyFQDALIPXALQYQN-OPAHZTHHSA-N
MW3937.78 g/mol
LogP53.21
Rot. Bonds46

About heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 158108496) has the molecular formula C239H215Cl3F8N16O23 and a molecular weight of 3937.78 g/mol. Its IUPAC name is heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Nameheptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
PubChem CID158108496
Molecular FormulaC239H215Cl3F8N16O23
Molecular Weight3937.78 g/mol
Exact Mass3933.51
IUPAC Nameheptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)cn1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC4CC4)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cncc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3c(F)cccc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc12.Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c(F)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C35H34N2O2.C34H35N3O.C33H28ClF3N2O.C33H28F4N2O.C33H31FN2O.C32H28Cl2N2O.C32H31N3O2.7CO2/c1-23-25(3)37(22-26-12-14-28(15-13-26)27-8-5-4-6-9-27)34-19-16-30(21-33(23)34)35(38)36-24(2)29-10-7-11-32(20-29)39-31-17-18-31;1-22(2)30-17-31(20-35-19-30)24(4)36-34(38)29-15-16-33-32(18-29)23(3)25(5)37(33)21-26-11-13-28(14-12-26)27-9-7-6-8-10-27;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(40)38-21(2)29-18-27(33(35,36)37)14-15-30(29)34;1-20-22(3)39(19-23-12-14-25(15-13-23)24-8-5-4-6-9-24)30-17-16-26(18-27(20)30)32(40)38-21(2)31-28(33(35,36)37)10-7-11-29(31)34;1-21-10-16-29(31(34)18-21)23(3)35-33(37)28-15-17-32-30(19-28)22(2)24(4)36(32)20-25-11-13-27(14-12-25)26-8-6-5-7-9-26;1-20-22(3)36(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-29(20)31)32(37)35-21(2)28-15-14-27(33)18-30(28)34;1-21-23(3)35(20-24-10-12-26(13-11-24)25-8-6-5-7-9-25)30-16-14-27(18-29(21)30)32(36)34-22(2)28-15-17-31(37-4)33-19-28;7*2-1-3/h4-16,19-21,24,31H,17-18,22H2,1-3H3,(H,36,38);6-20,22,24H,21H2,1-5H3,(H,36,38);2*4-18,21H,19H2,1-3H3,(H,38,40);5-19,23H,20H2,1-4H3,(H,35,37);4-18,21H,19H2,1-3H3,(H,35,37);5-19,22H,20H2,1-4H3,(H,34,36);;;;;;;/t2*24-;2*21-;23-;21-;22-;;;;;;;/m0011110......./s1
InChIKeyFQDALIPXALQYQN-OPAHZTHHSA-N
XLogP53.21
TPSA521.43 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds46
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003937.78
LogP ≤ 553.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide with MolForge

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Related Compounds

tert-butyl N-[3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl N-[3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;methane
CID 157135114
CID 157184591
CID 157184591
CID 157484540
CID 157484540
CID 157612956
CID 157612956
CID 157873949
CID 157873949
N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158194949
Tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole
CID 158200764
1-[2-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorophenyl]ethanone;4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[(dimethylamino)methyl]-4-methoxyphenyl]indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-propyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 158222180
[2-[5-[[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-butylindol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide;[2-[1-butyl-5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxy-2-propylphenyl)indol-1-yl]propan-1-amine
CID 158362558
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158413089
CID 158535226
CID 158535226
6-tert-butyl-5-(2-ethoxyphenyl)-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-5-(2-methoxyphenyl)-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158714512

Frequently Asked Questions

What is the IUPAC name of heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 158108496) is heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)cn1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC4CC4)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cncc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3c(F)cccc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc12.Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c(F)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The InChIKey is FQDALIPXALQYQN-OPAHZTHHSA-N. The full InChI is InChI=1S/C35H34N2O2.C34H35N3O.C33H28ClF3N2O.C33H28F4N2O.C33H31FN2O.C32H28Cl2N2O.C32H31N3O2.7CO2/c1-23-25(3)37(22-26-12-14-28(15-13-26)27-8-5-4-6-9-27)34-19-16-30(21-33(23)34)35(38)36-24(2)29-10-7-11-32(20-29)39-31-17-18-31;1-22(2)30-17-31(20-35-19-30)24(4)36-34(38)29-15-16-33-32(18-29)23(3)25(5)37(33)21-26-11-13-28(14-12-26)27-9-7-6-8-10-27;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(40)38-21(2)29-18-27(33(35,36)37)14-15-30(29)34;1-20-22(3)39(19-23-12-14-25(15-13-23)24-8-5-4-6-9-24)30-17-16-26(18-27(20)30)32(40)38-21(2)31-28(33(35,36)37)10-7-11-29(31)34;1-21-10-16-29(31(34)18-21)23(3)35-33(37)28-15-17-32-30(19-28)22(2)24(4)36(32)20-25-11-13-27(14-12-25)26-8-6-5-7-9-26;1-20-22(3)36(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-29(20)31)32(37)35-21(2)28-15-14-27(33)18-30(28)34;1-21-23(3)35(20-24-10-12-26(13-11-24)25-8-6-5-7-9-25)30-16-14-27(18-29(21)30)32(36)34-22(2)28-15-17-31(37-4)33-19-28;7*2-1-3/h4-16,19-21,24,31H,17-18,22H2,1-3H3,(H,36,38);6-20,22,24H,21H2,1-5H3,(H,36,38);2*4-18,21H,19H2,1-3H3,(H,38,40);5-19,23H,20H2,1-4H3,(H,35,37);4-18,21H,19H2,1-3H3,(H,35,37);5-19,22H,20H2,1-4H3,(H,34,36);;;;;;;/t2*24-;2*21-;23-;21-;22-;;;;;;;/m0011110......./s1.
What are the key properties of heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 3937.78 g/mol, XLogP of 53.21, 46 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 158108496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).