7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

C25H31N5O3 — CID 131995240

IUPAC7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCCC1c2nc(-c3cnc(OCC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC)c1
InChIInChI=1S/C25H31N5O3/c1-6-9-10-20-23-22(25(31)30(20)18-14-27-29(7-2)15-18)16(4)11-19(28-23)17-12-21(32-5)24(26-13-17)33-8-3/h11-15,20H,6-10H2,1-5H3
InChIKeyLQOLMMYHMXIJAD-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.97
Rot. Bonds9

About 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 131995240) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID131995240
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCCC1c2nc(-c3cnc(OCC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC)c1
InChIInChI=1S/C25H31N5O3/c1-6-9-10-20-23-22(25(31)30(20)18-14-27-29(7-2)15-18)16(4)11-19(28-23)17-12-21(32-5)24(26-13-17)33-8-3/h11-15,20H,6-10H2,1-5H3
InChIKeyLQOLMMYHMXIJAD-UHFFFAOYSA-N
XLogP4.97
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(7S)-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162567563
2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995079
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
N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
CID 88570954
(7R)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106893
(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995080
(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
CID 134423683
bis(2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one);2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158229460
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-7-(2-methoxyethoxy)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methoxy-N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid;2-methyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 159855442
2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158944359
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

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 131995240) is 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is CCCCC1c2nc(-c3cnc(OCC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC)c1.
What is the InChIKey of 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is LQOLMMYHMXIJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-6-9-10-20-23-22(25(31)30(20)18-14-27-29(7-2)15-18)16(4)11-19(28-23)17-12-21(32-5)24(26-13-17)33-8-3/h11-15,20H,6-10H2,1-5H3.
What are the key properties of 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 449.56 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 131995240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).