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

C19H18N4O3S2 — CID 137148135

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4csc(SC)n4)c(C)c3n2)cnc1OC
InChIInChI=1S/C19H18N4O3S2/c1-10-16-12(18(24)23(10)15-9-28-19(22-15)27-4)5-6-13(21-16)11-7-14(25-2)17(26-3)20-8-11/h5-9,24H,1-4H3
InChIKeyUWJYRPNNRVJUKA-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.30
Rot. Bonds5

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

2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137148135) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137148135
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4csc(SC)n4)c(C)c3n2)cnc1OC
InChIInChI=1S/C19H18N4O3S2/c1-10-16-12(18(24)23(10)15-9-28-19(22-15)27-4)5-6-13(21-16)11-7-14(25-2)17(26-3)20-8-11/h5-9,24H,1-4H3
InChIKeyUWJYRPNNRVJUKA-UHFFFAOYSA-N
XLogP4.30
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(5,6-Dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137057838
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
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
2-(5,6-Dimethoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137122359
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)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (CID 137148135) is 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2ccc3c(O)n(-c4csc(SC)n4)c(C)c3n2)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is UWJYRPNNRVJUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-10-16-12(18(24)23(10)15-9-28-19(22-15)27-4)5-6-13(21-16)11-7-14(25-2)17(26-3)20-8-11/h5-9,24H,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 414.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137148135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).