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

C19H19N3O2 — CID 155106867

IUPAC2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESC=C/C(=C\C)N1Cc2nc(-c3cccc(OC)n3)cc(C)c2C1=O
InChIInChI=1S/C19H19N3O2/c1-5-13(6-2)22-11-16-18(19(22)23)12(3)10-15(20-16)14-8-7-9-17(21-14)24-4/h5-10H,1,11H2,2-4H3/b13-6+
InChIKeyAFGBJAVSWVQHHM-AWNIVKPZSA-N
MW321.38 g/mol
LogP3.51
Rot. Bonds4

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

2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 155106867) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID155106867
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESC=C/C(=C\C)N1Cc2nc(-c3cccc(OC)n3)cc(C)c2C1=O
InChIInChI=1S/C19H19N3O2/c1-5-13(6-2)22-11-16-18(19(22)23)12(3)10-15(20-16)14-8-7-9-17(21-14)24-4/h5-10H,1,11H2,2-4H3/b13-6+
InChIKeyAFGBJAVSWVQHHM-AWNIVKPZSA-N
XLogP3.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 155106867) is 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is C=C/C(=C\C)N1Cc2nc(-c3cccc(OC)n3)cc(C)c2C1=O.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is AFGBJAVSWVQHHM-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-5-13(6-2)22-11-16-18(19(22)23)12(3)10-15(20-16)14-8-7-9-17(21-14)24-4/h5-10H,1,11H2,2-4H3/b13-6+.
What are the key properties of 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 321.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-4-methyl-6-[(3E)-penta-1,3-dien-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 155106867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).