2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol

C21H23N5O3 — CID 137092513

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCc1cc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)nn1C
InChIInChI=1S/C21H23N5O3/c1-6-14-9-18(24-25(14)3)26-11-16-19(21(26)27)12(2)7-15(23-16)13-8-17(28-4)20(29-5)22-10-13/h7-11,27H,6H2,1-5H3
InChIKeyZMHDWTLNHCUCIO-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.41
Rot. Bonds5

About 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol

2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137092513) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137092513
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCc1cc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)nn1C
InChIInChI=1S/C21H23N5O3/c1-6-14-9-18(24-25(14)3)26-11-16-19(21(26)27)12(2)7-15(23-16)13-8-17(28-4)20(29-5)22-10-13/h7-11,27H,6H2,1-5H3
InChIKeyZMHDWTLNHCUCIO-UHFFFAOYSA-N
XLogP3.41
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137147847
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-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1,3-thiazol-2-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137061267
6-(6-butoxy-3-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137094816
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
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-(3,5-dimethylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137095258
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-(1,2,4-triazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137128343
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-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137094464

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (CID 137092513) is 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is CCc1cc(-n2cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3c2O)nn1C.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is ZMHDWTLNHCUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-6-14-9-18(24-25(14)3)26-11-16-19(21(26)27)12(2)7-15(23-16)13-8-17(28-4)20(29-5)22-10-13/h7-11,27H,6H2,1-5H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 393.45 g/mol, XLogP of 3.41, 5 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)-6-(5-ethyl-1-methylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137092513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).