[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

C92H83F3N10O13 — CID 161411399

IUPAC[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
SMILESCOc1ccc(-c2c(CO)n(Cc3ccc(C)cc3F)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(C)(F)F)c3)c3ncccc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ncccc23)cn1.COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc4c(cc32)OCO4)c1
InChIInChI=1S/C24H21FN2O4.C24H22N2O5.C23H21F2N3O2.C21H19N3O2/c1-14-3-4-16(18(25)7-14)11-27-19-9-22-21(30-13-31-22)8-17(19)24(20(27)12-28)15-5-6-23(29-2)26-10-15;1-28-17-5-3-4-15(8-17)12-26-19-10-22-21(30-14-31-22)9-18(19)24(20(26)13-27)16-6-7-23(29-2)25-11-16;1-23(24,25)17-6-3-5-15(11-17)13-28-19(14-29)21(18-7-4-10-26-22(18)28)16-8-9-20(30-2)27-12-16;1-26-19-10-9-16(12-23-19)20-17-8-5-11-22-21(17)24(18(20)14-25)13-15-6-3-2-4-7-15/h3-10,28H,11-13H2,1-2H3;3-11,27H,12-14H2,1-2H3;3-12,29H,13-14H2,1-2H3;2-12,25H,13-14H2,1H3
InChIKeyVVMZYLUMHIBYIK-UHFFFAOYSA-N
MW1593.73 g/mol
LogP16.83
Rot. Bonds22

About [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

[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 (PubChem CID 161411399) has the molecular formula C92H83F3N10O13 and a molecular weight of 1593.73 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161411399
Molecular FormulaC92H83F3N10O13
Molecular Weight1593.73 g/mol
Exact Mass1592.61
IUPAC Name[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
SMILESCOc1ccc(-c2c(CO)n(Cc3ccc(C)cc3F)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(C)(F)F)c3)c3ncccc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ncccc23)cn1.COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc4c(cc32)OCO4)c1
InChIInChI=1S/C24H21FN2O4.C24H22N2O5.C23H21F2N3O2.C21H19N3O2/c1-14-3-4-16(18(25)7-14)11-27-19-9-22-21(30-13-31-22)8-17(19)24(20(27)12-28)15-5-6-23(29-2)26-10-15;1-28-17-5-3-4-15(8-17)12-26-19-10-22-21(30-14-31-22)9-18(19)24(20(26)13-27)16-6-7-23(29-2)25-11-16;1-23(24,25)17-6-3-5-15(11-17)13-28-19(14-29)21(18-7-4-10-26-22(18)28)16-8-9-20(30-2)27-12-16;1-26-19-10-9-16(12-23-19)20-17-8-5-11-22-21(17)24(18(20)14-25)13-15-6-3-2-4-7-15/h3-10,28H,11-13H2,1-2H3;3-11,27H,12-14H2,1-2H3;3-12,29H,13-14H2,1-2H3;2-12,25H,13-14H2,1H3
InChIKeyVVMZYLUMHIBYIK-UHFFFAOYSA-N
XLogP16.83
TPSA261.05 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001593.73
LogP ≤ 516.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ccc(-c2c(CO)n(Cc3ccc(C)cc3F)c3cc4c(cc23)OCO4)cn1.COc1ccc(-c2c(CO)n(Cc3cccc(C(C)(F)F)c3)c3ncccc23)cn1.COc1ccc(-c2c(CO)n(Cc3ccccc3)c3ncccc23)cn1.COc1cccc(Cn2c(CO)c(-c3ccc(OC)nc3)c3cc4c(cc32)OCO4)c1.
What is the InChIKey of [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?
The InChIKey is VVMZYLUMHIBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4.C24H22N2O5.C23H21F2N3O2.C21H19N3O2/c1-14-3-4-16(18(25)7-14)11-27-19-9-22-21(30-13-31-22)8-17(19)24(20(27)12-28)15-5-6-23(29-2)26-10-15;1-28-17-5-3-4-15(8-17)12-26-19-10-22-21(30-14-31-22)9-18(19)24(20(26)13-27)16-6-7-23(29-2)25-11-16;1-23(24,25)17-6-3-5-15(11-17)13-28-19(14-29)21(18-7-4-10-26-22(18)28)16-8-9-20(30-2)27-12-16;1-26-19-10-9-16(12-23-19)20-17-8-5-11-22-21(17)24(18(20)14-25)13-15-6-3-2-4-7-15/h3-10,28H,11-13H2,1-2H3;3-11,27H,12-14H2,1-2H3;3-12,29H,13-14H2,1-2H3;2-12,25H,13-14H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 1593.73 g/mol, XLogP of 16.83, 22 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161411399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).