1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile

C20H18N6O — CID 129315463

IUPAC1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CC(C#N)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H18N6O/c1-12-13(2)25-19(24-12)18-6-15(3-4-23-18)16-5-17(9-22-8-16)20(27)26-10-14(7-21)11-26/h3-6,8-9,14H,10-11H2,1-2H3,(H,24,25)
InChIKeyGAHICBSXSCMZEO-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.75
Rot. Bonds3

About 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile

1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile (PubChem CID 129315463) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile
PubChem CID129315463
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CC(C#N)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H18N6O/c1-12-13(2)25-19(24-12)18-6-15(3-4-23-18)16-5-17(9-22-8-16)20(27)26-10-14(7-21)11-26/h3-6,8-9,14H,10-11H2,1-2H3,(H,24,25)
InChIKeyGAHICBSXSCMZEO-UHFFFAOYSA-N
XLogP2.75
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
CID 129315759
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 129315527
(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
CID 129315725
(3,3-difluoropyrrolidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 155068418
N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 129315443
3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid
CID 129315845
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068439
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068465
(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 165112481
N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
CID 129315839
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 119637803

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile?
The IUPAC name of 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile (CID 129315463) is 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile is Cc1nc(-c2cc(-c3cncc(C(=O)N4CC(C#N)C4)c3)ccn2)[nH]c1C.
What is the InChIKey of 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile?
The InChIKey is GAHICBSXSCMZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-12-13(2)25-19(24-12)18-6-15(3-4-23-18)16-5-17(9-22-8-16)20(27)26-10-14(7-21)11-26/h3-6,8-9,14H,10-11H2,1-2H3,(H,24,25).
What are the key properties of 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile?
1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile is sourced from PubChem (CID 129315463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).