4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid

C107H97F3N18O10 — CID 158785590

About 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid (PubChem CID 158785590) has the molecular formula C107H97F3N18O10 and a molecular weight of 1852.06 g/mol. Its IUPAC name is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid
• PubChem CID: 158785590
• Molecular Formula: C107H97F3N18O10
• Molecular Weight: 1852.06 g/mol
• Exact Mass: 1850.76
• IUPAC Name: 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid
• SMILES: Cc1cc(-c2nn([C@@H](C)c3ccccn3)c3cc(-c4c(C)noc4C)ccc23)ccc1C(=O)O.Cc1noc(C)c1-c1ccc2c(-c3ccc(C(=O)O)cc3F)nn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1ccc2c(-c3ccc(C(C)(C)C(=O)O)cc3)nn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1ccc2c(-c3cnn(CC(C)(F)F)c3)nn([C@@H](C)c3ccccn3)c2c1
• InChI: InChI=1S/C29H28N4O3.C27H24N4O3.C26H21FN4O3.C25H24F2N6O/c1-17-26(19(3)36-32-17)21-11-14-23-25(16-21)33(18(2)24-8-6-7-15-30-24)31-27(23)20-9-12-22(13-10-20)29(4,5)28(34)35;1-15-13-20(9-10-21(15)27(32)33)26-22-11-8-19(25-16(2)30-34-18(25)4)14-24(22)31(29-26)17(3)23-7-5-6-12-28-23;1-14-24(16(3)34-30-14)17-7-10-20-23(13-17)31(15(2)22-6-4-5-11-28-22)29-25(20)19-9-8-18(26(32)33)12-21(19)27;1-15-23(17(3)34-31-15)18-8-9-20-22(11-18)33(16(2)21-7-5-6-10-28-21)30-24(20)19-12-29-32(13-19)14-25(4,26)27/h6-16,18H,1-5H3,(H,34,35);5-14,17H,1-4H3,(H,32,33);4-13,15H,1-3H3,(H,32,33);5-13,16H,14H2,1-4H3/t18-;17-;15-;16-/m0000/s1
• InChIKey: IRQGWTVCRUESET-BELSGAFGSA-N
• XLogP: 23.98
• TPSA: 356.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.06
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid?

The IUPAC name of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid (CID 158785590) is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid.

What is the SMILES notation for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid?

The canonical SMILES for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid is Cc1cc(-c2nn([C@@H](C)c3ccccn3)c3cc(-c4c(C)noc4C)ccc23)ccc1C(=O)O.Cc1noc(C)c1-c1ccc2c(-c3ccc(C(=O)O)cc3F)nn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1ccc2c(-c3ccc(C(C)(C)C(=O)O)cc3)nn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1ccc2c(-c3cnn(CC(C)(F)F)c3)nn([C@@H](C)c3ccccn3)c2c1.

What is the InChIKey of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid?

The InChIKey is IRQGWTVCRUESET-BELSGAFGSA-N. The full InChI is InChI=1S/C29H28N4O3.C27H24N4O3.C26H21FN4O3.C25H24F2N6O/c1-17-26(19(3)36-32-17)21-11-14-23-25(16-21)33(18(2)24-8-6-7-15-30-24)31-27(23)20-9-12-22(13-10-20)29(4,5)28(34)35;1-15-13-20(9-10-21(15)27(32)33)26-22-11-8-19(25-16(2)30-34-18(25)4)14-24(22)31(29-26)17(3)23-7-5-6-12-28-23;1-14-24(16(3)34-30-14)17-7-10-20-23(13-17)31(15(2)22-6-4-5-11-28-22)29-25(20)19-9-8-18(26(32)33)12-21(19)27;1-15-23(17(3)34-31-15)18-8-9-20-22(11-18)33(16(2)21-7-5-6-10-28-21)30-24(20)19-12-29-32(13-19)14-25(4,26)27/h6-16,18H,1-5H3,(H,34,35);5-14,17H,1-4H3,(H,32,33);4-13,15H,1-3H3,(H,32,33);5-13,16H,14H2,1-4H3/t18-;17-;15-;16-/m0000/s1.

What are the key properties of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid?

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid has a molecular weight of 1852.06 g/mol, XLogP of 23.98, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-3-fluorobenzoic acid;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]-2-methylbenzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 158785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).