iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane

C17H19IN9P — CID 172585060

About iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane

iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane (PubChem CID 172585060) has the molecular formula C17H19IN9P and a molecular weight of 507.28 g/mol. Its IUPAC name is iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane.

Molecular Properties

• Compound Name: iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane
• PubChem CID: 172585060
• Molecular Formula: C17H19IN9P
• Molecular Weight: 507.28 g/mol
• Exact Mass: 507.05
• IUPAC Name: iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane
• SMILES: Cn1cc(-c2ccc3c(N4CCN(c5nncn5PI)CC4)cnn3c2)cn1
• InChI: InChI=1S/C17H19IN9P/c1-23-10-14(8-20-23)13-2-3-15-16(9-21-26(15)11-13)24-4-6-25(7-5-24)17-22-19-12-27(17)28-18/h2-3,8-12,28H,4-7H2,1H3
• InChIKey: XXRNXIDQEZGKQR-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 72.31 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.28
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane?

The IUPAC name of iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane (CID 172585060) is iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane.

What is the SMILES notation for iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane?

The canonical SMILES for iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane is Cn1cc(-c2ccc3c(N4CCN(c5nncn5PI)CC4)cnn3c2)cn1.

What is the InChIKey of iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane?

The InChIKey is XXRNXIDQEZGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN9P/c1-23-10-14(8-20-23)13-2-3-15-16(9-21-26(15)11-13)24-4-6-25(7-5-24)17-22-19-12-27(17)28-18/h2-3,8-12,28H,4-7H2,1H3.

What are the key properties of iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane?

iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane has a molecular weight of 507.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for iodo-[3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-1,2,4-triazol-4-yl]phosphane is sourced from PubChem (CID 172585060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).