[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone

C59H70Cl3F6N9O6 — CID 157161511

About [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone

[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone (PubChem CID 157161511) has the molecular formula C59H70Cl3F6N9O6 and a molecular weight of 1221.61 g/mol. Its IUPAC name is [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone.

Molecular Properties

• Compound Name: [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone
• PubChem CID: 157161511
• Molecular Formula: C59H70Cl3F6N9O6
• Molecular Weight: 1221.61 g/mol
• Exact Mass: 1219.44
• IUPAC Name: [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone
• SMILES: CC(C)(C1CCN(C(=O)CC2CC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.O=C(C1CCC1)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.O=C(CC1CC1)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C21H28ClN3O2.2C19H21ClF3N3O2/c1-21(2,15-5-7-25(8-6-15)18(26)9-13-3-4-13)20(27)17-11-16(22)10-14-12-23-24-19(14)17;20-13-8-11-9-24-25-17(11)15(16(13)21)18(28)19(22,23)12-3-5-26(6-4-12)14(27)7-10-1-2-10;20-13-8-11-9-24-25-16(11)14(15(13)21)17(27)19(22,23)12-4-6-26(7-5-12)18(28)10-2-1-3-10/h10-13,15,20,27H,3-9H2,1-2H3,(H,23,24);8-10,12,18,28H,1-7H2,(H,24,25);8-10,12,17,27H,1-7H2,(H,24,25)
• InChIKey: AMKVVOHCHSHCKN-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 207.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.61
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone?

The IUPAC name of [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone (CID 157161511) is [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone.

What is the SMILES notation for [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone?

The canonical SMILES for [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone is CC(C)(C1CCN(C(=O)CC2CC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.O=C(C1CCC1)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.O=C(CC1CC1)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone?

The InChIKey is AMKVVOHCHSHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2.2C19H21ClF3N3O2/c1-21(2,15-5-7-25(8-6-15)18(26)9-13-3-4-13)20(27)17-11-16(22)10-14-12-23-24-19(14)17;20-13-8-11-9-24-25-17(11)15(16(13)21)18(28)19(22,23)12-3-5-26(6-4-12)14(27)7-10-1-2-10;20-13-8-11-9-24-25-16(11)14(15(13)21)17(27)19(22,23)12-4-6-26(7-5-12)18(28)10-2-1-3-10/h10-13,15,20,27H,3-9H2,1-2H3,(H,23,24);8-10,12,18,28H,1-7H2,(H,24,25);8-10,12,17,27H,1-7H2,(H,24,25).

What are the key properties of [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone?

[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone has a molecular weight of 1221.61 g/mol, XLogP of 12.44, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-cyclopropylethanone is sourced from PubChem (CID 157161511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).