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

C24H26N4O4 — CID 137094816

IUPAC6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCCCOc1ccc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)cn1
InChIInChI=1S/C24H26N4O4/c1-5-6-9-32-21-8-7-17(13-25-21)28-14-19-22(24(28)29)15(2)10-18(27-19)16-11-20(30-3)23(31-4)26-12-16/h7-8,10-14,29H,5-6,9H2,1-4H3
InChIKeySGJPXRGULLTXFV-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.69
Rot. Bonds8

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

6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137094816) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137094816
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCCCOc1ccc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)cn1
InChIInChI=1S/C24H26N4O4/c1-5-6-9-32-21-8-7-17(13-25-21)28-14-19-22(24(28)29)15(2)10-18(27-19)16-11-20(30-3)23(31-4)26-12-16/h7-8,10-14,29H,5-6,9H2,1-4H3
InChIKeySGJPXRGULLTXFV-UHFFFAOYSA-N
XLogP4.69
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137147847
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-[2-(5,6-dimethoxy-3-pyridinyl)-5-hydroxypyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]oxy]acetonitrile
CID 137058860
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-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-(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-[2-(1,2,4-triazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137128343
5-[2-(5,6-dimethoxy-3-pyridinyl)-5-hydroxypyrrolo[3,4-b]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 137148201

Frequently Asked Questions

What is the IUPAC name of 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (CID 137094816) is 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is CCCCOc1ccc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)cn1.
What is the InChIKey of 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is SGJPXRGULLTXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-5-6-9-32-21-8-7-17(13-25-21)28-14-19-22(24(28)29)15(2)10-18(27-19)16-11-20(30-3)23(31-4)26-12-16/h7-8,10-14,29H,5-6,9H2,1-4H3.
What are the key properties of 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 434.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137094816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).