[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

C92H76ClFN10O16 — CID 159311221

IUPAC[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccc(C#N)cc3F)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(Cl)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccn3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C24H18FN3O4.C23H19ClN2O4.C23H20N2O4.C22H19N3O4/c1-30-23-5-4-15(10-27-23)24-17-7-21-22(32-13-31-21)8-19(17)28(20(24)12-29)11-16-3-2-14(9-26)6-18(16)25;1-28-22-6-5-15(10-25-22)23-17-8-20-21(30-13-29-20)9-18(17)26(19(23)12-27)11-14-3-2-4-16(24)7-14;1-27-22-8-7-16(11-24-22)23-17-9-20-21(29-14-28-20)10-18(17)25(19(23)13-26)12-15-5-3-2-4-6-15;1-27-21-6-5-14(10-24-21)22-16-8-19-20(29-13-28-19)9-17(16)25(18(22)12-26)11-15-4-2-3-7-23-15/h2-8,10,29H,11-13H2,1H3;2-10,27H,11-13H2,1H3;2-11,26H,12-14H2,1H3;2-10,26H,11-13H2,1H3
InChIKeyLCOLQLBCDKVIGV-UHFFFAOYSA-N
MW1632.12 g/mol
LogP15.98
Rot. Bonds20

About [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (PubChem CID 159311221) has the molecular formula C92H76ClFN10O16 and a molecular weight of 1632.12 g/mol. Its IUPAC name is [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.

Molecular Properties

Compound Name[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
PubChem CID159311221
Molecular FormulaC92H76ClFN10O16
Molecular Weight1632.12 g/mol
Exact Mass1630.51
IUPAC Name[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3ccc(C#N)cc3F)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(Cl)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccn3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C24H18FN3O4.C23H19ClN2O4.C23H20N2O4.C22H19N3O4/c1-30-23-5-4-15(10-27-23)24-17-7-21-22(32-13-31-21)8-19(17)28(20(24)12-29)11-16-3-2-14(9-26)6-18(16)25;1-28-22-6-5-15(10-25-22)23-17-8-20-21(30-13-29-20)9-18(17)26(19(23)12-27)11-14-3-2-4-16(24)7-14;1-27-22-8-7-16(11-24-22)23-17-9-20-21(29-14-28-20)10-18(17)25(19(23)13-26)12-15-5-3-2-4-6-15;1-27-21-6-5-14(10-24-21)22-16-8-19-20(29-13-28-19)9-17(16)25(18(22)12-26)11-15-4-2-3-7-23-15/h2-8,10,29H,11-13H2,1H3;2-10,27H,11-13H2,1H3;2-11,26H,12-14H2,1H3;2-10,26H,11-13H2,1H3
InChIKeyLCOLQLBCDKVIGV-UHFFFAOYSA-N
XLogP15.98
TPSA299.64 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.12
LogP ≤ 515.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol with MolForge

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Related Compounds

[5-[(3-Bromophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(2-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
CID 158129706
[1-Benzyl-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;[1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;[5-[(2-fluoro-4-methylphenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-methoxyphenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
CID 161411399
1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol
CID 157297777
6-chloro-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;7-methoxy-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-methoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;8-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
CID 158503484
2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol
CID 159388571
[5-Benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(2-fluoro-4-methylphenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
CID 160217258
7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole
CID 161011499

Frequently Asked Questions

What is the IUPAC name of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The IUPAC name of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (CID 159311221) is [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.
What is the SMILES notation for [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The canonical SMILES for [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is COc1ccc(-c2c(CO)n(Cc3ccc(C#N)cc3F)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(Cl)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccn3)c3cc4c(cc23)OCO4)cn1.
What is the InChIKey of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The InChIKey is LCOLQLBCDKVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4.C23H19ClN2O4.C23H20N2O4.C22H19N3O4/c1-30-23-5-4-15(10-27-23)24-17-7-21-22(32-13-31-21)8-19(17)28(20(24)12-29)11-16-3-2-14(9-26)6-18(16)25;1-28-22-6-5-15(10-25-22)23-17-8-20-21(30-13-29-20)9-18(17)26(19(23)12-27)11-14-3-2-4-16(24)7-14;1-27-22-8-7-16(11-24-22)23-17-9-20-21(29-14-28-20)10-18(17)25(19(23)13-26)12-15-5-3-2-4-6-15;1-27-21-6-5-14(10-24-21)22-16-8-19-20(29-13-28-19)9-17(16)25(18(22)12-26)11-15-4-2-3-7-23-15/h2-8,10,29H,11-13H2,1H3;2-10,27H,11-13H2,1H3;2-11,26H,12-14H2,1H3;2-10,26H,11-13H2,1H3.
What are the key properties of [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
[5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol has a molecular weight of 1632.12 g/mol, XLogP of 15.98, 20 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzyl-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;[5-[(3-chlorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol;3-fluoro-4-[[6-(hydroxymethyl)-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-5-yl]methyl]benzonitrile;[7-(6-methoxy-3-pyridinyl)-5-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is sourced from PubChem (CID 159311221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).