5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile

C28H25N7O — CID 52943666

IUPAC5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(-c4[nH]ncc4C#N)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C28H25N7O/c1-35(2)15-16-36-24-9-7-22(8-10-24)28-32-26(27(33-28)21-11-13-30-14-12-21)20-5-3-19(4-6-20)25-23(17-29)18-31-34-25/h3-14,18H,15-16H2,1-2H3,(H,31,34)(H,32,33)
InChIKeySOMCZXLNCDZWNK-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.01
Rot. Bonds8

About 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile

5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile (PubChem CID 52943666) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile
PubChem CID52943666
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Name5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(-c4[nH]ncc4C#N)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C28H25N7O/c1-35(2)15-16-36-24-9-7-22(8-10-24)28-32-26(27(33-28)21-11-13-30-14-12-21)20-5-3-19(4-6-20)25-23(17-29)18-31-34-25/h3-14,18H,15-16H2,1-2H3,(H,31,34)(H,32,33)
InChIKeySOMCZXLNCDZWNK-UHFFFAOYSA-N
XLogP5.01
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-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

Methyl substituted pyrazole, 27
CID 23648674
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
US9765058, Example 2-2-10
CID 86580572
6-(1H-Benzoimidazol-2-yl)-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179680
6-[5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766018
4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 165390855
6-(4-phenylmethoxyphenyl)-4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 165390882
4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135439792
(Z)-2-(1H-benzo[d]imidazol-2-yl)-3-(3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
CID 16428857
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
CID 4869116
US9765058, Example 2-2-8
CID 86580570

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile (CID 52943666) is 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile is CN(C)CCOc1ccc(-c2nc(-c3ccc(-c4[nH]ncc4C#N)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is SOMCZXLNCDZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-35(2)15-16-36-24-9-7-22(8-10-24)28-32-26(27(33-28)21-11-13-30-14-12-21)20-5-3-19(4-6-20)25-23(17-29)18-31-34-25/h3-14,18H,15-16H2,1-2H3,(H,31,34)(H,32,33).
What are the key properties of 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile?
5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 475.56 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 52943666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).