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

C19H19N5O3 — CID 131995079

IUPAC2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ncc(-c2cc(C)c3c(n2)CN(c2cn[nH]c2)C3=O)cc1OC
InChIInChI=1S/C19H19N5O3/c1-4-27-18-16(26-3)6-12(7-20-18)14-5-11(2)17-15(23-14)10-24(19(17)25)13-8-21-22-9-13/h5-9H,4,10H2,1-3H3,(H,21,22)
InChIKeyKFNHVSLSKQNYOO-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.74
Rot. Bonds5

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

2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 131995079) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID131995079
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ncc(-c2cc(C)c3c(n2)CN(c2cn[nH]c2)C3=O)cc1OC
InChIInChI=1S/C19H19N5O3/c1-4-27-18-16(26-3)6-12(7-20-18)14-5-11(2)17-15(23-14)10-24(19(17)25)13-8-21-22-9-13/h5-9H,4,10H2,1-3H3,(H,21,22)
InChIKeyKFNHVSLSKQNYOO-UHFFFAOYSA-N
XLogP2.74
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106854
5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-(1H-pyrazol-4-yl)-3H-isoindol-1-one
CID 53327471
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995238
(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
2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(4-methylpenta-1,3-dien-2-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995087
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
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)-3-methyl-6-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde
CID 174731524
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
6-[1-(2,2-difluoroethyl)-2-oxo-4-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88570845
3-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]propanenitrile
CID 53327579

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 131995079) is 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cn[nH]c2)C3=O)cc1OC.
What is the InChIKey of 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KFNHVSLSKQNYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-4-27-18-16(26-3)6-12(7-20-18)14-5-11(2)17-15(23-14)10-24(19(17)25)13-8-21-22-9-13/h5-9H,4,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 365.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 131995079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).