(5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone

C138H132Cl5F5N16O10 — CID 159889365

IUPAC(5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
SMILESCC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(C)c1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc(ON2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/2C26H24ClN3O.C23H20F5N3O2.C22H23ClN2O2.C21H21ClN2O2.C20H20ClN3O2/c27-23-9-10-24-22(16-23)17-25(28-24)26(31)30-13-11-29(12-14-30)18-19-5-4-8-21(15-19)20-6-2-1-3-7-20;27-23-10-11-24-22(16-23)17-25(28-24)26(31)30-14-12-29(13-15-30)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20;1-22(24,25)16-4-2-14(3-5-16)20(32)30-8-10-31(11-9-30)21(33)19-13-15-12-17(23(26,27)28)6-7-18(15)29-19;1-14-3-6-21(15(2)11-14)27-18-7-9-25(10-8-18)22(26)20-13-16-12-17(23)4-5-19(16)24-20;1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20;1-14-3-2-4-17(11-14)26-24-9-7-23(8-10-24)20(25)19-13-15-12-16(21)5-6-18(15)22-19/h1-10,15-17,28H,11-14,18H2;1-11,16-17,28H,12-15,18H2;2-7,12-13,29H,8-11H2,1H3;3-6,11-13,18,24H,7-10H2,1-2H3;2-7,12-13,18,23H,8-11H2,1H3;2-6,11-13,22H,7-10H2,1H3
InChIKeyNUNWYVMBINVPFO-UHFFFAOYSA-N
MW2446.93 g/mol
LogP29.61
Rot. Bonds20

About (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 159889365) has the molecular formula C138H132Cl5F5N16O10 and a molecular weight of 2446.93 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
PubChem CID159889365
Molecular FormulaC138H132Cl5F5N16O10
Molecular Weight2446.93 g/mol
Exact Mass2442.87
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
SMILESCC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(C)c1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc(ON2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/2C26H24ClN3O.C23H20F5N3O2.C22H23ClN2O2.C21H21ClN2O2.C20H20ClN3O2/c27-23-9-10-24-22(16-23)17-25(28-24)26(31)30-13-11-29(12-14-30)18-19-5-4-8-21(15-19)20-6-2-1-3-7-20;27-23-10-11-24-22(16-23)17-25(28-24)26(31)30-14-12-29(13-15-30)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20;1-22(24,25)16-4-2-14(3-5-16)20(32)30-8-10-31(11-9-30)21(33)19-13-15-12-17(23(26,27)28)6-7-18(15)29-19;1-14-3-6-21(15(2)11-14)27-18-7-9-25(10-8-18)22(26)20-13-16-12-17(23)4-5-19(16)24-20;1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20;1-14-3-2-4-17(11-14)26-24-9-7-23(8-10-24)20(25)19-13-15-12-16(21)5-6-18(15)22-19/h1-10,15-17,28H,11-14,18H2;1-11,16-17,28H,12-15,18H2;2-7,12-13,29H,8-11H2,1H3;3-6,11-13,18,24H,7-10H2,1-2H3;2-7,12-13,18,23H,8-11H2,1H3;2-6,11-13,22H,7-10H2,1H3
InChIKeyNUNWYVMBINVPFO-UHFFFAOYSA-N
XLogP29.61
TPSA274.32 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002446.93
LogP ≤ 529.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

N-[(2S)-1-[(1S,4S)-5-[2-chloro-5-(trifluoromethyl)benzoyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(2-methoxy-4-methylbenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 134247244
6-chloro-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;ethyl 6-chloro-1-(4-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(4-oxochromen-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-(3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157080137
5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 157127123
6-chloro-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(2,3-difluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;ethyl 6-chloro-1-(4-oxochromen-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;phenyl 6-chloro-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157348870
5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 157497105
methyl 4-(6-chloro-2-phenoxycarbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)benzoate;O-phenyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-phenyl 6-chloro-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-phenyl 6-chloro-1-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-phenyl 6-chloro-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-phenyl 6-chloro-1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate
CID 157538371
O-(4-fluorophenyl) 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-(4-fluorophenyl) 6-chloro-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-(4-fluorophenyl) 6-chloro-1-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-(4-fluorophenyl) 6-chloro-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-(4-fluorophenyl) 6-chloro-1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;methyl 4-[6-chloro-2-(4-fluorophenoxy)carbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoate
CID 157630271
methyl 4-(6-chloro-2-phenoxycarbothioyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)benzoate;O-phenyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-phenyl 6-chloro-1-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-phenyl 6-chloro-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate;O-phenyl 6-chloro-1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioate
CID 158690442
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(3-ethynylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[4-(1,1-difluoroethyl)phenoxy]piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 159055550
Ethyl 6-chloro-1-(4-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-(4-oxochromen-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-(3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 159147452
bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-yl)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-[2-(4-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
CID 159453720
6-chloro-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(2,3-difluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;ethyl 6-chloro-1-(4-oxochromen-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-(3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;methyl 6-chloro-1-[3-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 159710299

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone (CID 159889365) is (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone is CC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(C)c1.Cc1ccc(OC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc(ON2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is NUNWYVMBINVPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24ClN3O.C23H20F5N3O2.C22H23ClN2O2.C21H21ClN2O2.C20H20ClN3O2/c27-23-9-10-24-22(16-23)17-25(28-24)26(31)30-13-11-29(12-14-30)18-19-5-4-8-21(15-19)20-6-2-1-3-7-20;27-23-10-11-24-22(16-23)17-25(28-24)26(31)30-14-12-29(13-15-30)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20;1-22(24,25)16-4-2-14(3-5-16)20(32)30-8-10-31(11-9-30)21(33)19-13-15-12-17(23(26,27)28)6-7-18(15)29-19;1-14-3-6-21(15(2)11-14)27-18-7-9-25(10-8-18)22(26)20-13-16-12-17(23)4-5-19(16)24-20;1-14-2-5-17(6-3-14)26-18-8-10-24(11-9-18)21(25)20-13-15-12-16(22)4-7-19(15)23-20;1-14-3-2-4-17(11-14)26-24-9-7-23(8-10-24)20(25)19-13-15-12-16(21)5-6-18(15)22-19/h1-10,15-17,28H,11-14,18H2;1-11,16-17,28H,12-15,18H2;2-7,12-13,29H,8-11H2,1H3;3-6,11-13,18,24H,7-10H2,1-2H3;2-7,12-13,18,23H,8-11H2,1H3;2-6,11-13,22H,7-10H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 2446.93 g/mol, XLogP of 29.61, 20 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 159889365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).