5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile

C21H22N6 — CID 174093918

About 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile

5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile (PubChem CID 174093918) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
• PubChem CID: 174093918
• Molecular Formula: C21H22N6
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.19
• IUPAC Name: 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
• SMILES: CC(C)(C)C/N=C/C(=CN)c1ccc(C#N)nc1-c1ccn2ccnc2c1
• InChI: InChI=1S/C21H22N6/c1-21(2,3)14-24-13-16(11-22)18-5-4-17(12-23)26-20(18)15-6-8-27-9-7-25-19(27)10-15/h4-11,13H,14,22H2,1-3H3/b16-11?,24-13+
• InChIKey: KODVSSQNWCPMBW-GXAPMVOTSA-N
• XLogP: 3.68
• TPSA: 92.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?

The IUPAC name of 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile (CID 174093918) is 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile.

What is the SMILES notation for 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?

The canonical SMILES for 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile is CC(C)(C)C/N=C/C(=CN)c1ccc(C#N)nc1-c1ccn2ccnc2c1.

What is the InChIKey of 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?

The InChIKey is KODVSSQNWCPMBW-GXAPMVOTSA-N. The full InChI is InChI=1S/C21H22N6/c1-21(2,3)14-24-13-16(11-22)18-5-4-17(12-23)26-20(18)15-6-8-27-9-7-25-19(27)10-15/h4-11,13H,14,22H2,1-3H3/b16-11?,24-13+.

What are the key properties of 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile?

5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-amino-3-(2,2-dimethylpropylimino)prop-1-en-2-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile is sourced from PubChem (CID 174093918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).