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

C18H16N4O3S — CID 137061267

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2cc(C)c3c(O)n(-c4nccs4)cc3n2)cnc1OC
InChIInChI=1S/C18H16N4O3S/c1-10-6-12(11-7-14(24-2)16(25-3)20-8-11)21-13-9-22(17(23)15(10)13)18-19-4-5-26-18/h4-9,23H,1-3H3
InChIKeyCWHCAUNINUMKCB-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.58
Rot. Bonds4

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

2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137061267) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137061267
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2cc(C)c3c(O)n(-c4nccs4)cc3n2)cnc1OC
InChIInChI=1S/C18H16N4O3S/c1-10-6-12(11-7-14(24-2)16(25-3)20-8-11)21-13-9-22(17(23)15(10)13)18-19-4-5-26-18/h4-9,23H,1-3H3
InChIKeyCWHCAUNINUMKCB-UHFFFAOYSA-N
XLogP3.58
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137147847
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-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-(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
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-(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-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
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-(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)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol (CID 137061267) is 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2cc(C)c3c(O)n(-c4nccs4)cc3n2)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is CWHCAUNINUMKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-6-12(11-7-14(24-2)16(25-3)20-8-11)21-13-9-22(17(23)15(10)13)18-19-4-5-26-18/h4-9,23H,1-3H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 368.42 g/mol, XLogP of 3.58, 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-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137061267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).