5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

C23H23N7 — CID 174093919

IUPAC5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3C(=CN)/C=N/CCC(C)(C)C#N)cc2n1
InChIInChI=1S/C23H23N7/c1-16-14-30-9-6-17(10-21(30)28-16)22-20(5-4-19(12-25)29-22)18(11-24)13-27-8-7-23(2,3)15-26/h4-6,9-11,13-14H,7-8,24H2,1-3H3/b18-11?,27-13+
InChIKeyYKKAMPYLWDOJAD-YCCLQZDASA-N
MW397.49 g/mol
LogP3.89
Rot. Bonds6

About 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 174093919) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
PubChem CID174093919
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3C(=CN)/C=N/CCC(C)(C)C#N)cc2n1
InChIInChI=1S/C23H23N7/c1-16-14-30-9-6-17(10-21(30)28-16)22-20(5-4-19(12-25)29-22)18(11-24)13-27-8-7-23(2,3)15-26/h4-6,9-11,13-14H,7-8,24H2,1-3H3/b18-11?,27-13+
InChIKeyYKKAMPYLWDOJAD-YCCLQZDASA-N
XLogP3.89
TPSA116.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-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

5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 174093918
5-[1-amino-3-(3,3,3-trifluoro-2,2-dimethylpropyl)iminoprop-1-en-2-yl]-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 174093984
5-[1-amino-3-(2,2,3,3,4,4,4-heptafluorobutylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 174093880
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[2-(3,3,3-trifluoropropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373610
5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137371520
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[1-(4,4,4-trifluoro-2,2-dimethylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373960
5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130
(2-methylimidazo[1,2-a]pyridin-7-yl)methanol;hydrochloride
CID 19883453
2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374017
(2-methylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 142510514
1-(2-methylimidazo[1,2-a]pyridin-7-yl)ethanone
CID 84654894
N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine
CID 170147503

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (CID 174093919) is 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is Cc1cn2ccc(-c3nc(C#N)ccc3C(=CN)/C=N/CCC(C)(C)C#N)cc2n1.
What is the InChIKey of 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The InChIKey is YKKAMPYLWDOJAD-YCCLQZDASA-N. The full InChI is InChI=1S/C23H23N7/c1-16-14-30-9-6-17(10-21(30)28-16)22-20(5-4-19(12-25)29-22)18(11-24)13-27-8-7-23(2,3)15-26/h4-6,9-11,13-14H,7-8,24H2,1-3H3/b18-11?,27-13+.
What are the key properties of 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 397.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-3-(3-cyano-3-methylbutyl)iminoprop-1-en-2-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 174093919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).