[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

C94H79BrClF3N8O16 — CID 158129706

IUPAC[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
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(C)(F)F)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C25H22F2N2O4.C23H19BrN2O4.C23H19ClN2O4.C23H19FN2O4/c1-25(26,27)17-5-3-4-15(8-17)12-29-19-10-22-21(32-14-33-22)9-18(19)24(20(29)13-30)16-6-7-23(31-2)28-11-16;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;1-28-22-7-6-14(10-25-22)23-16-8-20-21(30-13-29-20)9-18(16)26(19(23)12-27)11-15-4-2-3-5-17(15)24;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/h3-11,30H,12-14H2,1-2H3;3*2-10,27H,11-13H2,1H3
InChIKeyFSPSYZLRKNWBEY-UHFFFAOYSA-N
MW1749.06 g/mol
LogP18.59
Rot. Bonds21

About [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

[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 (PubChem CID 158129706) has the molecular formula C94H79BrClF3N8O16 and a molecular weight of 1749.06 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158129706
Molecular FormulaC94H79BrClF3N8O16
Molecular Weight1749.06 g/mol
Exact Mass1746.44
IUPAC Name[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
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(C)(F)F)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C25H22F2N2O4.C23H19BrN2O4.C23H19ClN2O4.C23H19FN2O4/c1-25(26,27)17-5-3-4-15(8-17)12-29-19-10-22-21(32-14-33-22)9-18(19)24(20(29)13-30)16-6-7-23(31-2)28-11-16;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;1-28-22-7-6-14(10-25-22)23-16-8-20-21(30-13-29-20)9-18(16)26(19(23)12-27)11-15-4-2-3-5-17(15)24;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/h3-11,30H,12-14H2,1-2H3;3*2-10,27H,11-13H2,1H3
InChIKeyFSPSYZLRKNWBEY-UHFFFAOYSA-N
XLogP18.59
TPSA262.96 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001749.06
LogP ≤ 518.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

[1-Benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 159542441
[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
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(C)(F)F)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1.
What is the InChIKey of [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?
The InChIKey is FSPSYZLRKNWBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O4.C23H19BrN2O4.C23H19ClN2O4.C23H19FN2O4/c1-25(26,27)17-5-3-4-15(8-17)12-29-19-10-22-21(32-14-33-22)9-18(19)24(20(29)13-30)16-6-7-23(31-2)28-11-16;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;1-28-22-7-6-14(10-25-22)23-16-8-20-21(30-13-29-20)9-18(16)26(19(23)12-27)11-15-4-2-3-5-17(15)24;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/h3-11,30H,12-14H2,1-2H3;3*2-10,27H,11-13H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 1749.06 g/mol, XLogP of 18.59, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158129706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).