1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one

C17H20N4O — CID 171134948

IUPAC1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one
SMILESCCC=CCC(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1
InChIInChI=1S/C17H20N4O/c1-2-3-4-7-16(22)21-10-8-14-15(12-21)20-17(19-14)13-6-5-9-18-11-13/h3-6,9,11H,2,7-8,10,12H2,1H3,(H,19,20)
InChIKeyNSDFQSKMRMQKNU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one

1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one (PubChem CID 171134948) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one.

Molecular Properties

Compound Name1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one
PubChem CID171134948
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one
SMILESCCC=CCC(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1
InChIInChI=1S/C17H20N4O/c1-2-3-4-7-16(22)21-10-8-14-15(12-21)20-17(19-14)13-6-5-9-18-11-13/h3-6,9,11H,2,7-8,10,12H2,1H3,(H,19,20)
InChIKeyNSDFQSKMRMQKNU-UHFFFAOYSA-N
XLogP2.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one?
The IUPAC name of 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one (CID 171134948) is 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one.
What is the SMILES notation for 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one?
The canonical SMILES for 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one is CCC=CCC(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1.
What is the InChIKey of 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one?
The InChIKey is NSDFQSKMRMQKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-3-4-7-16(22)21-10-8-14-15(12-21)20-17(19-14)13-6-5-9-18-11-13/h3-6,9,11H,2,7-8,10,12H2,1H3,(H,19,20).
What are the key properties of 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one?
1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one is sourced from PubChem (CID 171134948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).