[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C89H88F9N28O16P — CID 158280077

About [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 158280077) has the molecular formula C89H88F9N28O16P and a molecular weight of 2007.82 g/mol. Its IUPAC name is [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 158280077
• Molecular Formula: C89H88F9N28O16P
• Molecular Weight: 2007.82 g/mol
• Exact Mass: 2006.65
• IUPAC Name: [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
• SMILES: CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3coc(-c4cnn(COP(=O)(O)O)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2ncc(NC(=O)c3coc(-c4cn[nH]c4)n3)c2-c2nc(F)ccc2F)CC1.O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1coc(-c2cn[nH]c2)n1
• InChI: InChI=1S/C24H26F2N7O7P.2C23H23F2N7O3.C19H16F3N7O3/c1-2-38-16-5-3-15(4-6-16)33-11-18(22(31-33)21-17(25)7-8-20(26)30-21)28-23(34)19-12-39-24(29-19)14-9-27-32(10-14)13-40-41(35,36)37;1-2-34-16-5-3-15(4-6-16)32-11-18(21(31-32)20-17(25)7-14(24)10-26-20)29-22(33)19-12-35-23(30-19)13-8-27-28-9-13;1-2-34-15-5-3-14(4-6-15)32-21(20-16(24)7-8-19(25)31-20)17(11-28-32)29-22(33)18-12-35-23(30-18)13-9-26-27-10-13;20-19(21,22)11-31-6-5-29-9-14(16(28-29)13-3-1-2-4-23-13)26-17(30)15-10-32-18(27-15)12-7-24-25-8-12/h7-12,15-16H,2-6,13H2,1H3,(H,28,34)(H2,35,36,37);7-12,15-16H,2-6H2,1H3,(H,27,28)(H,29,33);7-12,14-15H,2-6H2,1H3,(H,26,27)(H,29,33);1-4,7-10H,5-6,11H2,(H,24,25)(H,26,30)
• InChIKey: GKCHXMWPRXTVPL-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 550.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.82
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The IUPAC name of [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 158280077) is [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3coc(-c4cnn(COP(=O)(O)O)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2ncc(NC(=O)c3coc(-c4cn[nH]c4)n3)c2-c2nc(F)ccc2F)CC1.O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1coc(-c2cn[nH]c2)n1.

What is the InChIKey of [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is GKCHXMWPRXTVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N7O7P.2C23H23F2N7O3.C19H16F3N7O3/c1-2-38-16-5-3-15(4-6-16)33-11-18(22(31-33)21-17(25)7-8-20(26)30-21)28-23(34)19-12-39-24(29-19)14-9-27-32(10-14)13-40-41(35,36)37;1-2-34-16-5-3-15(4-6-16)32-11-18(21(31-32)20-17(25)7-14(24)10-26-20)29-22(33)19-12-35-23(30-19)13-8-27-28-9-13;1-2-34-15-5-3-14(4-6-15)32-21(20-16(24)7-8-19(25)31-20)17(11-28-32)29-22(33)18-12-35-23(30-18)13-9-26-27-10-13;20-19(21,22)11-31-6-5-29-9-14(16(28-29)13-3-1-2-4-23-13)26-17(30)15-10-32-18(27-15)12-7-24-25-8-12/h7-12,15-16H,2-6,13H2,1H3,(H,28,34)(H2,35,36,37);7-12,15-16H,2-6H2,1H3,(H,27,28)(H,29,33);7-12,14-15H,2-6H2,1H3,(H,26,27)(H,29,33);1-4,7-10H,5-6,11H2,(H,24,25)(H,26,30).

What are the key properties of [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?

[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 2007.82 g/mol, XLogP of 15.82, 32 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl dihydrogen phosphate;N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[5-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 158280077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).