2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol

C19H18N4O2S — CID 137019691

IUPAC2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cncc(-c2cc(C)c3c(O)n(-c4csc(C)n4)c(C)c3n2)c1
InChIInChI=1S/C19H18N4O2S/c1-10-5-15(13-6-14(25-4)8-20-7-13)22-18-11(2)23(19(24)17(10)18)16-9-26-12(3)21-16/h5-9,24H,1-4H3
InChIKeyPQNZBGDPTLIHSD-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.18
Rot. Bonds3

About 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol

2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137019691) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137019691
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cncc(-c2cc(C)c3c(O)n(-c4csc(C)n4)c(C)c3n2)c1
InChIInChI=1S/C19H18N4O2S/c1-10-5-15(13-6-14(25-4)8-20-7-13)22-18-11(2)23(19(24)17(10)18)16-9-26-12(3)21-16/h5-9,24H,1-4H3
InChIKeyPQNZBGDPTLIHSD-UHFFFAOYSA-N
XLogP4.18
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
CID 156855139
N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 68110991
6-[1-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
CID 137036936
2-(5,6-Dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137045508
6-[1-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137060541
2-(5-Methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137068073
4-Methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137071347
2-[5-(Difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
CID 137072940
2-(6-Ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137083395
2-[5-(Difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137094464
6-[1-[(2R)-2-fluoropropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137095233
6-[1-(2-Fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137098359

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (CID 137019691) is 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is COc1cncc(-c2cc(C)c3c(O)n(-c4csc(C)n4)c(C)c3n2)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is PQNZBGDPTLIHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-10-5-15(13-6-14(25-4)8-20-7-13)22-18-11(2)23(19(24)17(10)18)16-9-26-12(3)21-16/h5-9,24H,1-4H3.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 366.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137019691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).