2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol

C19H18N4O4 — CID 137095555

IUPAC2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1cc(-c2cc(C)c3c(O)n(-c4ccon4)cc3n2)cnc1OC
InChIInChI=1S/C19H18N4O4/c1-4-26-15-8-12(9-20-18(15)25-3)13-7-11(2)17-14(21-13)10-23(19(17)24)16-5-6-27-22-16/h5-10,24H,4H2,1-3H3
InChIKeyQCRBANVOPIETCR-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.50
Rot. Bonds5

About 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol

2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137095555) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137095555
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1cc(-c2cc(C)c3c(O)n(-c4ccon4)cc3n2)cnc1OC
InChIInChI=1S/C19H18N4O4/c1-4-26-15-8-12(9-20-18(15)25-3)13-7-11(2)17-14(21-13)10-23(19(17)24)16-5-6-27-22-16/h5-10,24H,4H2,1-3H3
InChIKeyQCRBANVOPIETCR-UHFFFAOYSA-N
XLogP3.50
TPSA95.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137092513
6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137094816
2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137061267
2-(6-fluoro-5-methoxy-3-pyridinyl)-4-methyl-6-[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137092662
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
4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137059226
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-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137094464
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
4-(5-ethoxy-6-methoxy-3-pyridinyl)-2,3-dimethoxypyridine
CID 123395828

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol (CID 137095555) is 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol is CCOc1cc(-c2cc(C)c3c(O)n(-c4ccon4)cc3n2)cnc1OC.
What is the InChIKey of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is QCRBANVOPIETCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-4-26-15-8-12(9-20-18(15)25-3)13-7-11(2)17-14(21-13)10-23(19(17)24)16-5-6-27-22-16/h5-10,24H,4H2,1-3H3.
What are the key properties of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol?
2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 366.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1,2-oxazol-3-yl)pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137095555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).