2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole

C102H91Cl4F6N9O2 — CID 159692440

IUPAC2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole
SMILESCCn1c(-c2cccc(Cl)c2)cc2nc(C)ccc21.Cc1cc2cc(-c3cccc(Cl)c3)n(C)c2cn1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2[C@@H]1CCOC1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2[C@H]1CCOC1.Cc1ccc2c(c1)cc(-c1cccc(Cl)c1)n2C.Cc1ccc2c(cc(-c3cccc(Cl)c3)n2C)n1
InChIInChI=1S/2C20H18F3NO.C16H15ClN2.C16H14ClN.2C15H13ClN2/c2*1-13-2-7-18-15(10-13)11-19(24(18)17-8-9-25-12-17)14-3-5-16(6-4-14)20(21,22)23;1-3-19-15-8-7-11(2)18-14(15)10-16(19)12-5-4-6-13(17)9-12;1-11-6-7-15-13(8-11)10-16(18(15)2)12-4-3-5-14(17)9-12;1-10-6-12-8-14(18(2)15(12)9-17-10)11-4-3-5-13(16)7-11;1-10-6-7-14-13(17-10)9-15(18(14)2)11-4-3-5-12(16)8-11/h2*2-7,10-11,17H,8-9,12H2,1H3;4-10H,3H2,1-2H3;3-10H,1-2H3;2*3-9H,1-2H3/t2*17-;;;;/m10..../s1
InChIKeyMWOVRRPKSPCWKT-BYQNJDFCSA-N
MW1730.71 g/mol
LogP29.09
Rot. Bonds9

About 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole

2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole (PubChem CID 159692440) has the molecular formula C102H91Cl4F6N9O2 and a molecular weight of 1730.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole
PubChem CID159692440
Molecular FormulaC102H91Cl4F6N9O2
Molecular Weight1730.71 g/mol
Exact Mass1727.60
IUPAC Name2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole
SMILESCCn1c(-c2cccc(Cl)c2)cc2nc(C)ccc21.Cc1cc2cc(-c3cccc(Cl)c3)n(C)c2cn1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2[C@@H]1CCOC1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2[C@H]1CCOC1.Cc1ccc2c(c1)cc(-c1cccc(Cl)c1)n2C.Cc1ccc2c(cc(-c3cccc(Cl)c3)n2C)n1
InChIInChI=1S/2C20H18F3NO.C16H15ClN2.C16H14ClN.2C15H13ClN2/c2*1-13-2-7-18-15(10-13)11-19(24(18)17-8-9-25-12-17)14-3-5-16(6-4-14)20(21,22)23;1-3-19-15-8-7-11(2)18-14(15)10-16(19)12-5-4-6-13(17)9-12;1-11-6-7-15-13(8-11)10-16(18(15)2)12-4-3-5-14(17)9-12;1-10-6-12-8-14(18(2)15(12)9-17-10)11-4-3-5-13(16)7-11;1-10-6-7-14-13(17-10)9-15(18(14)2)11-4-3-5-12(16)8-11/h2*2-7,10-11,17H,8-9,12H2,1H3;4-10H,3H2,1-2H3;3-10H,1-2H3;2*3-9H,1-2H3/t2*17-;;;;/m10..../s1
InChIKeyMWOVRRPKSPCWKT-BYQNJDFCSA-N
XLogP29.09
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001730.71
LogP ≤ 529.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole with MolForge

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Related Compounds

9-[2-(4,4-Difluoropiperidin-1-yl)ethyl]-6-fluoro-7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indole;6-fluoro-9-[2-(3-methoxy-4-methylpyrrolidin-1-yl)ethyl]-7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indole;6-fluoro-7-methyl-9-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(trifluoromethyl)pyrido[3,4-b]indole;4-[2-[6-fluoro-7-methyl-1-(trifluoromethyl)carbazol-9-yl]ethyl]morpholine;4-[2-[8-fluoro-7-methyl-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
CID 161831679
N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-6-methylpyridin-3-amine
CID 158298804
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
CID 158619641
4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine
CID 159335031
N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]aniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-chloroaniline;N-[3-[5-[(benzylamino)methyl]-1-ethylindol-2-yl]prop-2-ynyl]-4-fluoroaniline;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[3-[1-ethyl-5-[(oxan-4-ylamino)methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
CID 159361596
N-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-5-yl]methyl]oxan-4-amine;N-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]methyl]-1-methylpiperidin-4-amine;N-[3-[1-ethyl-5-[[(1-methylpiperidin-4-yl)amino]methyl]indol-2-yl]prop-2-ynyl]-2-methylpyridin-4-amine
CID 161334015

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole (CID 159692440) is 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole is CCn1c(-c2cccc(Cl)c2)cc2nc(C)ccc21.Cc1cc2cc(-c3cccc(Cl)c3)n(C)c2cn1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2[C@@H]1CCOC1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2[C@H]1CCOC1.Cc1ccc2c(c1)cc(-c1cccc(Cl)c1)n2C.Cc1ccc2c(cc(-c3cccc(Cl)c3)n2C)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is MWOVRRPKSPCWKT-BYQNJDFCSA-N. The full InChI is InChI=1S/2C20H18F3NO.C16H15ClN2.C16H14ClN.2C15H13ClN2/c2*1-13-2-7-18-15(10-13)11-19(24(18)17-8-9-25-12-17)14-3-5-16(6-4-14)20(21,22)23;1-3-19-15-8-7-11(2)18-14(15)10-16(19)12-5-4-6-13(17)9-12;1-11-6-7-15-13(8-11)10-16(18(15)2)12-4-3-5-14(17)9-12;1-10-6-12-8-14(18(2)15(12)9-17-10)11-4-3-5-13(16)7-11;1-10-6-7-14-13(17-10)9-15(18(14)2)11-4-3-5-12(16)8-11/h2*2-7,10-11,17H,8-9,12H2,1H3;4-10H,3H2,1-2H3;3-10H,1-2H3;2*3-9H,1-2H3/t2*17-;;;;/m10..../s1.
What are the key properties of 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole?
2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 1730.71 g/mol, XLogP of 29.09, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,5-dimethylindole;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[3,2-b]pyridine;2-(3-chlorophenyl)-1,5-dimethylpyrrolo[2,3-c]pyridine;2-(3-chlorophenyl)-1-ethyl-5-methylpyrrolo[3,2-b]pyridine;5-methyl-1-[(3R)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-[(3S)-oxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 159692440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).