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

C21H20N6O — CID 129315759

IUPAC1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(C#N)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H20N6O/c1-13-14(2)26-20(25-13)19-8-16(3-5-24-19)17-7-18(11-23-10-17)21(28)27-6-4-15(9-22)12-27/h3,5,7-8,10-11,15H,4,6,12H2,1-2H3,(H,25,26)
InChIKeyCTQFACFJUBMXDU-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.14
Rot. Bonds3

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

1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile (PubChem CID 129315759) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
PubChem CID129315759
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(C#N)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H20N6O/c1-13-14(2)26-20(25-13)19-8-16(3-5-24-19)17-7-18(11-23-10-17)21(28)27-6-4-15(9-22)12-27/h3,5,7-8,10-11,15H,4,6,12H2,1-2H3,(H,25,26)
InChIKeyCTQFACFJUBMXDU-UHFFFAOYSA-N
XLogP3.14
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-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]azetidine-3-carbonitrile
CID 129315463
[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
(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 165112481
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
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 119637803
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carbonitrile
CID 49062645
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119636013
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile (CID 129315759) is 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile is Cc1nc(-c2cc(-c3cncc(C(=O)N4CCC(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]pyrrolidine-3-carbonitrile?
The InChIKey is CTQFACFJUBMXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-14(2)26-20(25-13)19-8-16(3-5-24-19)17-7-18(11-23-10-17)21(28)27-6-4-15(9-22)12-27/h3,5,7-8,10-11,15H,4,6,12H2,1-2H3,(H,25,26).
What are the key properties of 1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile?
1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 3.14, 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]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 129315759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).