4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

C23H19ClF2N2O3 — CID 137060658

IUPAC4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1ccc(Cn2cc3nc(-c4c(F)cc(C)cc4F)cc(Cl)c3c2O)c(OC)c1
InChIInChI=1S/C23H19ClF2N2O3/c1-12-6-16(25)22(17(26)7-12)18-9-15(24)21-19(27-18)11-28(23(21)29)10-13-4-5-14(30-2)8-20(13)31-3/h4-9,11,29H,10H2,1-3H3
InChIKeyAOWAEOLPTTZXCP-UHFFFAOYSA-N
MW444.87 g/mol
LogP5.71
Rot. Bonds5

About 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137060658) has the molecular formula C23H19ClF2N2O3 and a molecular weight of 444.87 g/mol. Its IUPAC name is 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137060658
Molecular FormulaC23H19ClF2N2O3
Molecular Weight444.87 g/mol
Exact Mass444.11
IUPAC Name4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1ccc(Cn2cc3nc(-c4c(F)cc(C)cc4F)cc(Cl)c3c2O)c(OC)c1
InChIInChI=1S/C23H19ClF2N2O3/c1-12-6-16(25)22(17(26)7-12)18-9-15(24)21-19(27-18)11-28(23(21)29)10-13-4-5-14(30-2)8-20(13)31-3/h4-9,11,29H,10H2,1-3H3
InChIKeyAOWAEOLPTTZXCP-UHFFFAOYSA-N
XLogP5.71
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.87
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)pyrrolo[3,4-b]pyridin-5-ol
CID 137031394
2-(2-chloro-6-fluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(ethylaminomethyl)-2-pyridinyl]amino]pyrrolo[3,4-b]pyridin-5-ol
CID 137047573
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol
CID 137078325
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]amino]pyrrolo[3,4-b]pyridin-5-ol
CID 137099041
2-(2,6-difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137103571
2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]pyrrolo[3,4-b]pyridin-5-ol
CID 137071494
6-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-hydroxypyrrolo[3,4-b]pyridin-4-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 137084034
2-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-hydroxypyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 137022467
4-chloro-2-(2,6-difluorophenyl)-6-[(2-methoxy-4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 118347818
4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141301468
9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137060658) is 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is COc1ccc(Cn2cc3nc(-c4c(F)cc(C)cc4F)cc(Cl)c3c2O)c(OC)c1.
What is the InChIKey of 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is AOWAEOLPTTZXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O3/c1-12-6-16(25)22(17(26)7-12)18-9-15(24)21-19(27-18)11-28(23(21)29)10-13-4-5-14(30-2)8-20(13)31-3/h4-9,11,29H,10H2,1-3H3.
What are the key properties of 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 444.87 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-difluoro-4-methylphenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137060658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).