sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol

C23H24F2N7NaO2S — CID 155782867

About sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol

sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol (PubChem CID 155782867) has the molecular formula C23H24F2N7NaO2S and a molecular weight of 523.55 g/mol. Its IUPAC name is sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol.

Molecular Properties

• Compound Name: sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol
• PubChem CID: 155782867
• Molecular Formula: C23H24F2N7NaO2S
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.16
• IUPAC Name: sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol
• SMILES: CCO.O=C(Nc1cn(C2CCCCC2)nc1-c1nc(F)ccc1F)c1csc(-c2cn[n-]c2)n1.[Na+]
• InChI: InChI=1S/C21H19F2N7OS.C2H6O.Na/c22-14-6-7-17(23)28-18(14)19-15(10-30(29-19)13-4-2-1-3-5-13)26-20(31)16-11-32-21(27-16)12-8-24-25-9-12;1-2-3;/h6-11,13H,1-5H2,(H2,24,25,26,27,31);3H,2H2,1H3;/q;;+1/p-1
• InChIKey: KKPXIFRWSMBGRG-UHFFFAOYSA-M
• XLogP: 1.46
• TPSA: 119.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol?

The IUPAC name of sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol (CID 155782867) is sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol.

What is the SMILES notation for sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol?

The canonical SMILES for sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol is CCO.O=C(Nc1cn(C2CCCCC2)nc1-c1nc(F)ccc1F)c1csc(-c2cn[n-]c2)n1.[Na+].

What is the InChIKey of sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol?

The InChIKey is KKPXIFRWSMBGRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19F2N7OS.C2H6O.Na/c22-14-6-7-17(23)28-18(14)19-15(10-30(29-19)13-4-2-1-3-5-13)26-20(31)16-11-32-21(27-16)12-8-24-25-9-12;1-2-3;/h6-11,13H,1-5H2,(H2,24,25,26,27,31);3H,2H2,1H3;/q;;+1/p-1.

What are the key properties of sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol?

sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol has a molecular weight of 523.55 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-pyrazol-1-id-4-yl-1,3-thiazole-4-carboxamide;ethanol is sourced from PubChem (CID 155782867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).