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

C27H37F2N7O2S — CID 156646173

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

N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol (PubChem CID 156646173) has the molecular formula C27H37F2N7O2S and a molecular weight of 561.70 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol
• PubChem CID: 156646173
• Molecular Formula: C27H37F2N7O2S
• Molecular Weight: 561.70 g/mol
• Exact Mass: 561.27
• IUPAC Name: N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol
• SMILES: CC.CC.CCO.O=C(Nc1cn(C2CCCCC2)nc1-c1nc(F)ccc1F)c1csc(-c2cn[nH]c2)n1
• InChI: InChI=1S/C21H19F2N7OS.C2H6O.2C2H6/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;2*1-2/h6-11,13H,1-5H2,(H,24,25)(H,26,31);3H,2H2,1H3;2*1-2H3
• InChIKey: KZWYVWZVBQQFFH-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 121.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.70
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	3
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 N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol?

The IUPAC name of N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol (CID 156646173) is N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol.

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

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

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

The InChIKey is KZWYVWZVBQQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7OS.C2H6O.2C2H6/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;2*1-2/h6-11,13H,1-5H2,(H,24,25)(H,26,31);3H,2H2,1H3;2*1-2H3.

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

N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol has a molecular weight of 561.70 g/mol, XLogP of 6.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol is sourced from PubChem (CID 156646173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).