5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C23H22N8 — CID 163975060

About 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 163975060) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
• PubChem CID: 163975060
• Molecular Formula: C23H22N8
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.20
• IUPAC Name: 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
• SMILES: CN1CC2(C1)CN(c1ccc(-c3cc(-c4cnn(C)c4)cc4ncc(C#N)n34)cn1)C2
• InChI: InChI=1S/C23H22N8/c1-28-12-23(13-28)14-30(15-23)21-4-3-16(8-25-21)20-5-17(18-9-27-29(2)11-18)6-22-26-10-19(7-24)31(20)22/h3-6,8-11H,12-15H2,1-2H3
• InChIKey: KTEWEOAOCZNTQT-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 78.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The IUPAC name of 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 163975060) is 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The canonical SMILES for 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is CN1CC2(C1)CN(c1ccc(-c3cc(-c4cnn(C)c4)cc4ncc(C#N)n34)cn1)C2.

What is the InChIKey of 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The InChIKey is KTEWEOAOCZNTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-28-12-23(13-28)14-30(15-23)21-4-3-16(8-25-21)20-5-17(18-9-27-29(2)11-18)6-22-26-10-19(7-24)31(20)22/h3-6,8-11H,12-15H2,1-2H3.

What are the key properties of 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 410.49 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163975060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).