7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C25H32N5OP — CID 144885385

About 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 144885385) has the molecular formula C25H32N5OP and a molecular weight of 449.54 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

• Compound Name: 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
• PubChem CID: 144885385
• Molecular Formula: C25H32N5OP
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.23
• IUPAC Name: 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
• SMILES: CCN1CCN(C2=CN3C(=O)C=C(c4cc(C(C)C)c5nc(C)cn5c4)PC3C=C2)CC1
• InChI: InChI=1S/C25H32N5OP/c1-5-27-8-10-28(11-9-27)20-6-7-24-30(16-20)23(31)13-22(32-24)19-12-21(17(2)3)25-26-18(4)14-29(25)15-19/h6-7,12-17,24,32H,5,8-11H2,1-4H3
• InChIKey: CPTFDIHKTCRWCQ-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 44.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	4.00
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 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The IUPAC name of 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 144885385) is 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is CCN1CCN(C2=CN3C(=O)C=C(c4cc(C(C)C)c5nc(C)cn5c4)PC3C=C2)CC1.

What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The InChIKey is CPTFDIHKTCRWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N5OP/c1-5-27-8-10-28(11-9-27)20-6-7-24-30(16-20)23(31)13-22(32-24)19-12-21(17(2)3)25-26-18(4)14-29(25)15-19/h6-7,12-17,24,32H,5,8-11H2,1-4H3.

What are the key properties of 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 449.54 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-ethylpiperazin-1-yl)-2-(2-methyl-8-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 144885385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).