7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C22H25FN5OP — CID 144885515

About 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 144885515) has the molecular formula C22H25FN5OP and a molecular weight of 425.45 g/mol. Its IUPAC name is 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

• Compound Name: 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
• PubChem CID: 144885515
• Molecular Formula: C22H25FN5OP
• Molecular Weight: 425.45 g/mol
• Exact Mass: 425.18
• IUPAC Name: 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
• SMILES: Cc1cn2cc(C3=CC(=O)N4C=C(N5CCN(C)[C@@H](C)C5)C=CC4P3)cc(F)c2n1
• InChI: InChI=1S/C22H25FN5OP/c1-14-10-27-12-16(8-18(23)22(27)24-14)19-9-20(29)28-13-17(4-5-21(28)30-19)26-7-6-25(3)15(2)11-26/h4-5,8-10,12-13,15,21,30H,6-7,11H2,1-3H3/t15-,21?/m0/s1
• InChIKey: BHJUKXYOGQMOEJ-ZDGMYTEDSA-N
• XLogP: 3.02
• TPSA: 44.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.45
LogP ≤ 5	3.02
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-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The IUPAC name of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 144885515) is 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

What is the SMILES notation for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The canonical SMILES for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is Cc1cn2cc(C3=CC(=O)N4C=C(N5CCN(C)[C@@H](C)C5)C=CC4P3)cc(F)c2n1.

What is the InChIKey of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

The InChIKey is BHJUKXYOGQMOEJ-ZDGMYTEDSA-N. The full InChI is InChI=1S/C22H25FN5OP/c1-14-10-27-12-16(8-18(23)22(27)24-14)19-9-20(29)28-13-17(4-5-21(28)30-19)26-7-6-25(3)15(2)11-26/h4-5,8-10,12-13,15,21,30H,6-7,11H2,1-3H3/t15-,21?/m0/s1.

What are the key properties of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?

7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 425.45 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 144885515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).