3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C23H23N5O3 — CID 67285157

IUPAC3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C23H23N5O3/c1-13-6-7-17(14(2)8-13)26-23-20(27-22-16(11-24)12-25-28(22)23)15-9-18(29-3)21(31-5)19(10-15)30-4/h6-10,12,25-26H,1-5H3
InChIKeyXMGQYHWXFHISDH-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.59
Rot. Bonds6

About 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 67285157) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID67285157
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESCOc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C23H23N5O3/c1-13-6-7-17(14(2)8-13)26-23-20(27-22-16(11-24)12-25-28(22)23)15-9-18(29-3)21(31-5)19(10-15)30-4/h6-10,12,25-26H,1-5H3
InChIKeyXMGQYHWXFHISDH-UHFFFAOYSA-N
XLogP4.59
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile 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 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 67285157) is 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is COc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is XMGQYHWXFHISDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13-6-7-17(14(2)8-13)26-23-20(27-22-16(11-24)12-25-28(22)23)15-9-18(29-3)21(31-5)19(10-15)30-4/h6-10,12,25-26H,1-5H3.
What are the key properties of 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 417.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylanilino)-2-(3,4,5-trimethoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 67285157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).