cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone

C25H29CsN6O2 — CID 172585309

About cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone

cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone (PubChem CID 172585309) has the molecular formula C25H29CsN6O2 and a molecular weight of 578.45 g/mol. Its IUPAC name is cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone
• PubChem CID: 172585309
• Molecular Formula: C25H29CsN6O2
• Molecular Weight: 578.45 g/mol
• Exact Mass: 578.14
• IUPAC Name: cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone
• SMILES: COC(C(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccccc1.[CH3-].[Cs+]
• InChI: InChI=1S/C24H26N6O2.CH3.Cs/c1-27-16-20(14-25-27)19-8-9-21-22(15-26-30(21)17-19)28-10-12-29(13-11-28)24(31)23(32-2)18-6-4-3-5-7-18;;/h3-9,14-17,23H,10-13H2,1-2H3;1H3;/q;-1;+1
• InChIKey: VPRDSSXDZYVQDB-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 67.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.45
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone?

The IUPAC name of cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone (CID 172585309) is cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone.

What is the SMILES notation for cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone?

The canonical SMILES for cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone is COC(C(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccccc1.[CH3-].[Cs+].

What is the InChIKey of cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone?

The InChIKey is VPRDSSXDZYVQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.CH3.Cs/c1-27-16-20(14-25-27)19-8-9-21-22(15-26-30(21)17-19)28-10-12-29(13-11-28)24(31)23(32-2)18-6-4-3-5-7-18;;/h3-9,14-17,23H,10-13H2,1-2H3;1H3;/q;-1;+1.

What are the key properties of cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone?

cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 578.45 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 172585309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).