2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

C21H20F3N5O4 — CID 137117667

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1c2nc(-c3cnc(OC)c(OC)c3)ccc2c(O)n1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C21H20F3N5O4/c1-4-33-20-17-14(19(30)29(20)13-9-26-28(10-13)11-21(22,23)24)5-6-15(27-17)12-7-16(31-2)18(32-3)25-8-12/h5-10,30H,4,11H2,1-3H3
InChIKeyGZSAORYSYBSQRS-UHFFFAOYSA-N
MW463.42 g/mol
LogP3.97
Rot. Bonds7

About 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol

2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137117667) has the molecular formula C21H20F3N5O4 and a molecular weight of 463.42 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137117667
Molecular FormulaC21H20F3N5O4
Molecular Weight463.42 g/mol
Exact Mass463.15
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCCOc1c2nc(-c3cnc(OC)c(OC)c3)ccc2c(O)n1-c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C21H20F3N5O4/c1-4-33-20-17-14(19(30)29(20)13-9-26-28(10-13)11-21(22,23)24)5-6-15(27-17)12-7-16(31-2)18(32-3)25-8-12/h5-10,30H,4,11H2,1-3H3
InChIKeyGZSAORYSYBSQRS-UHFFFAOYSA-N
XLogP3.97
TPSA96.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 66743331
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
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
(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-(2-ethenoxyethoxy)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106743
5-[2-(5,6-dimethoxy-3-pyridinyl)-5-hydroxypyrrolo[3,4-b]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 137148201
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137079102
2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-5-hydroxy-7-methylpyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 137103923
2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-5-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137127088
4-(azetidin-1-yl)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327318
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137128343
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137117667) is 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is CCOc1c2nc(-c3cnc(OC)c(OC)c3)ccc2c(O)n1-c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is GZSAORYSYBSQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O4/c1-4-33-20-17-14(19(30)29(20)13-9-26-28(10-13)11-21(22,23)24)5-6-15(27-17)12-7-16(31-2)18(32-3)25-8-12/h5-10,30H,4,11H2,1-3H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 463.42 g/mol, XLogP of 3.97, 7 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-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137117667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).