2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C25H32N5OP — CID 135158933

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 135158933) has the molecular formula C25H32N5OP and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

• Compound Name: 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
• PubChem CID: 135158933
• Molecular Formula: C25H32N5OP
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.23
• IUPAC Name: 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
• SMILES: CCCN1CCC(C2=CN3C(=O)C=C(c4cc5c(C)nc(C)cn5n4)PC3C(C)=C2)CC1
• InChI: InChI=1S/C25H32N5OP/c1-5-8-28-9-6-19(7-10-28)20-11-16(2)25-29(15-20)24(31)13-23(32-25)21-12-22-18(4)26-17(3)14-30(22)27-21/h11-15,19,25,32H,5-10H2,1-4H3
• InChIKey: KNWIHNGBASUDSE-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 53.74 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	4.50
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-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 135158933) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is CCCN1CCC(C2=CN3C(=O)C=C(c4cc5c(C)nc(C)cn5n4)PC3C(C)=C2)CC1.

What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The InChIKey is KNWIHNGBASUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N5OP/c1-5-8-28-9-6-19(7-10-28)20-11-16(2)25-29(15-20)24(31)13-23(32-25)21-12-22-18(4)26-17(3)14-30(22)27-21/h11-15,19,25,32H,5-10H2,1-4H3.

What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 449.54 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 135158933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).