2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one

C23H28N5OP — CID 135158783

About 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one

2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 135158783) has the molecular formula C23H28N5OP and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

• Compound Name: 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one
• PubChem CID: 135158783
• Molecular Formula: C23H28N5OP
• Molecular Weight: 421.49 g/mol
• Exact Mass: 421.20
• IUPAC Name: 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one
• SMILES: Cc1cn2cc(C3=CC(=O)N4C=C(C5CCN(C(C)C)CC5)N=CC4P3)ccc2n1
• InChI: InChI=1S/C23H28N5OP/c1-15(2)26-8-6-17(7-9-26)19-14-28-22(29)10-20(30-23(28)11-24-19)18-4-5-21-25-16(3)12-27(21)13-18/h4-5,10-15,17,23,30H,6-9H2,1-3H3
• InChIKey: AHHBYZFYHQTWKT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 53.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.49
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one?

The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one (CID 135158783) is 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one.

What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one?

The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one is Cc1cn2cc(C3=CC(=O)N4C=C(C5CCN(C(C)C)CC5)N=CC4P3)ccc2n1.

What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one?

The InChIKey is AHHBYZFYHQTWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N5OP/c1-15(2)26-8-6-17(7-9-26)19-14-28-22(29)10-20(30-23(28)11-24-19)18-4-5-21-25-16(3)12-27(21)13-18/h4-5,10-15,17,23,30H,6-9H2,1-3H3.

What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one?

2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 421.49 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-ylpiperidin-4-yl)-1,9a-dihydropyrazino[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 135158783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).