[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol

C90H82Cl4N10O6S2 — CID 162209870

IUPAC[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc(C)ccc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(C)cc23)cn1.CSc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3cc(C)ccc23)cn1.CSc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(C)cc23)cn1
InChIInChI=1S/2C23H21ClN2O2.2C22H20ClN3OS/c1-15-7-9-20-18(11-15)23(16-8-10-22(28-2)25-12-16)21(14-27)26(20)13-17-5-3-4-6-19(17)24;1-15-7-9-18-20(11-15)26(13-17-5-3-4-6-19(17)24)21(14-27)23(18)16-8-10-22(28-2)25-12-16;1-14-7-8-19-17(9-14)21(16-10-24-22(28-2)25-11-16)20(13-27)26(19)12-15-5-3-4-6-18(15)23;1-14-7-8-17-19(9-14)26(12-15-5-3-4-6-18(15)23)20(13-27)21(17)16-10-24-22(28-2)25-11-16/h2*3-12,27H,13-14H2,1-2H3;2*3-11,27H,12-13H2,1-2H3
InChIKeyZSRWHPYXGNBJPL-UHFFFAOYSA-N
MW1605.66 g/mol
LogP21.07
Rot. Bonds20

About [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol (PubChem CID 162209870) has the molecular formula C90H82Cl4N10O6S2 and a molecular weight of 1605.66 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol
PubChem CID162209870
Molecular FormulaC90H82Cl4N10O6S2
Molecular Weight1605.66 g/mol
Exact Mass1602.46
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc(C)ccc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(C)cc23)cn1.CSc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3cc(C)ccc23)cn1.CSc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(C)cc23)cn1
InChIInChI=1S/2C23H21ClN2O2.2C22H20ClN3OS/c1-15-7-9-20-18(11-15)23(16-8-10-22(28-2)25-12-16)21(14-27)26(20)13-17-5-3-4-6-19(17)24;1-15-7-9-18-20(11-15)26(13-17-5-3-4-6-19(17)24)21(14-27)23(18)16-8-10-22(28-2)25-12-16;1-14-7-8-19-17(9-14)21(16-10-24-22(28-2)25-11-16)20(13-27)26(19)12-15-5-3-4-6-18(15)23;1-14-7-8-17-19(9-14)26(12-15-5-3-4-6-18(15)23)20(13-27)21(17)16-10-24-22(28-2)25-11-16/h2*3-12,27H,13-14H2,1-2H3;2*3-11,27H,12-13H2,1-2H3
InChIKeyZSRWHPYXGNBJPL-UHFFFAOYSA-N
XLogP21.07
TPSA196.44 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.66
LogP ≤ 521.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol with MolForge

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Related Compounds

1-[(2-Chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole;1-[(2-chlorophenyl)methyl]-2-ethyl-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indole;2-ethyl-1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indole;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-pyridin-4-ylindol-2-yl]methanol
CID 157734095
[1-[(2-Chlorophenyl)methyl]-5-methoxy-3-pyridin-4-ylindol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol
CID 157982712
1-Butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole
CID 158228143
1-Butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole
CID 160769807
1-Benzyl-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole;1-[(2-chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole;bis(1-[(2-chlorophenyl)methyl]-2-ethyl-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indole)
CID 158189163
1-benzyl-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole;1-[(2-chlorophenyl)methyl]-2-ethyl-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indole;4-[[2-ethyl-3-(6-methoxy-3-pyridinyl)-5-methylindol-1-yl]methyl]-2-phenyl-4,5-dihydro-1,3-thiazole;4-[[3-(6-methoxy-3-pyridinyl)-5-methyl-2-[(2-phenyl-3H-pyrrol-5-yl)methoxymethyl]indol-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 158307922
[1-[(2-Chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
CID 159069981
[1-[(2-Chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
CID 160782573
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyrimidin-5-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol;1-[7-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol;1-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-2-pyridin-3-ylpropan-2-ol
CID 161163887
[1-[(2-Chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
CID 161335033
[1-[(2-Chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol
CID 161641559

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol (CID 162209870) is [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc(C)ccc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(C)cc23)cn1.CSc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3cc(C)ccc23)cn1.CSc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(C)cc23)cn1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol?
The InChIKey is ZSRWHPYXGNBJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21ClN2O2.2C22H20ClN3OS/c1-15-7-9-20-18(11-15)23(16-8-10-22(28-2)25-12-16)21(14-27)26(20)13-17-5-3-4-6-19(17)24;1-15-7-9-18-20(11-15)26(13-17-5-3-4-6-19(17)24)21(14-27)23(18)16-8-10-22(28-2)25-12-16;1-14-7-8-19-17(9-14)21(16-10-24-22(28-2)25-11-16)20(13-27)26(19)12-15-5-3-4-6-18(15)23;1-14-7-8-17-19(9-14)26(12-15-5-3-4-6-18(15)23)20(13-27)21(17)16-10-24-22(28-2)25-11-16/h2*3-12,27H,13-14H2,1-2H3;2*3-11,27H,12-13H2,1-2H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol has a molecular weight of 1605.66 g/mol, XLogP of 21.07, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-6-methylindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol is sourced from PubChem (CID 162209870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).