2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

C21H19N5O3 — CID 131995238

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILES[H]/N=C/c1cncc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)c1
InChIInChI=1S/C21H19N5O3/c1-12-4-16(14-6-18(28-2)20(29-3)24-9-14)25-17-11-26(21(27)19(12)17)15-5-13(7-22)8-23-10-15/h4-10,22H,11H2,1-3H3/b22-7+
InChIKeyPXJIPGKWEZNUGC-QPJQQBGISA-N
MW389.42 g/mol
LogP3.02
Rot. Bonds5

About 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 131995238) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID131995238
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILES[H]/N=C/c1cncc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)c1
InChIInChI=1S/C21H19N5O3/c1-12-4-16(14-6-18(28-2)20(29-3)24-9-14)25-17-11-26(21(27)19(12)17)15-5-13(7-22)8-23-10-15/h4-10,22H,11H2,1-3H3/b22-7+
InChIKeyPXJIPGKWEZNUGC-QPJQQBGISA-N
XLogP3.02
TPSA101.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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)-4-methyl-6-(4-methylpenta-1,3-dien-2-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995087
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
5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-(1H-pyrazol-4-yl)-3H-isoindol-1-one
CID 53327471
2-(4-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106854
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
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-hydroxy-1-(trifluoromethyl)cyclopropyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162589384
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 160587471
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-ethoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137147847
4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88573833

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 131995238) is 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is [H]/N=C/c1cncc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)c1.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PXJIPGKWEZNUGC-QPJQQBGISA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-4-16(14-6-18(28-2)20(29-3)24-9-14)25-17-11-26(21(27)19(12)17)15-5-13(7-22)8-23-10-15/h4-10,22H,11H2,1-3H3/b22-7+.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 389.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methanimidoyl-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 131995238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).