3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C20H18N6O2 — CID 67286044

About 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 67286044) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

• Compound Name: 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
• PubChem CID: 67286044
• Molecular Formula: C20H18N6O2
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.15
• IUPAC Name: 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
• SMILES: COc1ccc(Nc2c(-c3cccc(C)n3)nc3c(C#N)c[nH]n23)c(OC)c1
• InChI: InChI=1S/C20H18N6O2/c1-12-5-4-6-16(23-12)18-20(26-19(25-18)13(10-21)11-22-26)24-15-8-7-14(27-2)9-17(15)28-3/h4-9,11,22,24H,1-3H3
• InChIKey: JLDAQMVGKGCHDI-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 100.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?

The IUPAC name of 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 67286044) is 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

What is the SMILES notation for 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?

The canonical SMILES for 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is COc1ccc(Nc2c(-c3cccc(C)n3)nc3c(C#N)c[nH]n23)c(OC)c1.

What is the InChIKey of 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?

The InChIKey is JLDAQMVGKGCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-5-4-6-16(23-12)18-20(26-19(25-18)13(10-21)11-22-26)24-15-8-7-14(27-2)9-17(15)28-3/h4-9,11,22,24H,1-3H3.

What are the key properties of 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?

3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dimethoxyanilino)-2-(6-methyl-2-pyridinyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 67286044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).