2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol

C22H22N4O4 — CID 137147847

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1cncc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)c1
InChIInChI=1S/C22H22N4O4/c1-5-30-16-8-15(10-23-11-16)26-12-18-20(22(26)27)13(2)6-17(25-18)14-7-19(28-3)21(29-4)24-9-14/h6-12,27H,5H2,1-4H3
InChIKeyITJPUGLCPTXIFX-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.91
Rot. Bonds6

About 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol

2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137147847) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137147847
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1cncc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)c1
InChIInChI=1S/C22H22N4O4/c1-5-30-16-8-15(10-23-11-16)26-12-18-20(22(26)27)13(2)6-17(25-18)14-7-19(28-3)21(29-4)24-9-14/h6-12,27H,5H2,1-4H3
InChIKeyITJPUGLCPTXIFX-UHFFFAOYSA-N
XLogP3.91
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137094816
2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137095555
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137092513
2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137061267
2-[5-methoxy-6-(2-propoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137028967
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
6-(1-tert-butylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]pyridin-5-ol
CID 137133707
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137128343
2-(4-chloro-3-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137169657
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(5-methylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137167251
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137095258
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137079102

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (CID 137147847) is 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is CCOc1cncc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)c1.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is ITJPUGLCPTXIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-5-30-16-8-15(10-23-11-16)26-12-18-20(22(26)27)13(2)6-17(25-18)14-7-19(28-3)21(29-4)24-9-14/h6-12,27H,5H2,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 406.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137147847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).