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

C19H18N4O3S — CID 137024821

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2cc(C)c3c(O)n(-c4csc(C)n4)cc3n2)cnc1OC
InChIInChI=1S/C19H18N4O3S/c1-10-5-13(12-6-15(25-3)18(26-4)20-7-12)22-14-8-23(19(24)17(10)14)16-9-27-11(2)21-16/h5-9,24H,1-4H3
InChIKeyVQEFWDYAKRQPRV-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.88
Rot. Bonds4

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

2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137024821) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137024821
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2cc(C)c3c(O)n(-c4csc(C)n4)cc3n2)cnc1OC
InChIInChI=1S/C19H18N4O3S/c1-10-5-13(12-6-15(25-3)18(26-4)20-7-12)22-14-8-23(19(24)17(10)14)16-9-27-11(2)21-16/h5-9,24H,1-4H3
InChIKeyVQEFWDYAKRQPRV-UHFFFAOYSA-N
XLogP3.88
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-Dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137023202
2-(5,6-Dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137045508
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-(5,6-Dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137072264
2-(5,6-Dimethoxy-3-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137072500
2-(5,6-dimethoxy-3-pyridinyl)-7-[(3R)-3-fluoropyrrolidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137079174
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-(5,6-dimethoxy-3-pyridinyl)-6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137101413
2-(5,6-Dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137103418
2-(5,6-Dimethoxy-3-pyridinyl)-7-methyl-6-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137117453
N-[4-[3-[4-(difluoromethyl)-1,3-thiazol-2-yl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl]acetamide
CID 137127706

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (CID 137024821) is 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2cc(C)c3c(O)n(-c4csc(C)n4)cc3n2)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is VQEFWDYAKRQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-10-5-13(12-6-15(25-3)18(26-4)20-7-12)22-14-8-23(19(24)17(10)14)16-9-27-11(2)21-16/h5-9,24H,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 382.45 g/mol, XLogP of 3.88, 4 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)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137024821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).