[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate

C99H111Cl5F9N17O10 — CID 158670991

About [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate

[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate (PubChem CID 158670991) has the molecular formula C99H111Cl5F9N17O10 and a molecular weight of 2047.33 g/mol. Its IUPAC name is [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate
• PubChem CID: 158670991
• Molecular Formula: C99H111Cl5F9N17O10
• Molecular Weight: 2047.33 g/mol
• Exact Mass: 2043.70
• IUPAC Name: [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate
• SMILES: CC(=O)N1[C@@H]2CC[C@H]1CC(C(C)(C)C(C)c1cc(Cl)cc3cn[nH]c13)C2.COC(=O)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.Cc1ccc(NC(=O)N2CCC(C(C)(C)[C@@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.O=C(C1CC1)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.O=C(c1cccnc1)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C24H29ClN4O2.C21H28ClN3O.C20H18ClF3N4O2.C18H19ClF3N3O2.C16H17ClF3N3O3/c1-15-4-6-19(7-5-15)27-23(31)29-10-8-17(9-11-29)24(2,3)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-12(19-10-16(22)7-14-11-23-24-20(14)19)21(3,4)15-8-17-5-6-18(9-15)25(17)13(2)26;21-14-8-12-10-26-27-17(12)15(16(14)22)18(29)20(23,24)13-3-6-28(7-4-13)19(30)11-2-1-5-25-9-11;19-12-7-10-8-23-24-15(10)13(14(12)20)16(26)18(21,22)11-3-5-25(6-4-11)17(27)9-1-2-9;1-26-15(25)23-4-2-9(3-5-23)16(19,20)14(24)11-12(18)10(17)6-8-7-21-22-13(8)11/h4-7,12-14,17,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);7,10-12,15,17-18H,5-6,8-9H2,1-4H3,(H,23,24);1-2,5,8-10,13,18,29H,3-4,6-7H2,(H,26,27);7-9,11,16,26H,1-6H2,(H,23,24);6-7,9,14,24H,2-5H2,1H3,(H,21,22)/t22-;12?,15?,17-,18+;;;/m0..../s1
• InChIKey: IDYGYMSPRHWEOB-UWEVIUAOSA-N
• XLogP: 21.81
• TPSA: 360.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2047.33
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

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]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate?

The IUPAC name of [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate (CID 158670991) is [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate.

What is the SMILES notation for [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate?

The canonical SMILES for [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate is CC(=O)N1[C@@H]2CC[C@H]1CC(C(C)(C)C(C)c1cc(Cl)cc3cn[nH]c13)C2.COC(=O)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.Cc1ccc(NC(=O)N2CCC(C(C)(C)[C@@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.O=C(C1CC1)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.O=C(c1cccnc1)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]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate?

The InChIKey is IDYGYMSPRHWEOB-UWEVIUAOSA-N. The full InChI is InChI=1S/C24H29ClN4O2.C21H28ClN3O.C20H18ClF3N4O2.C18H19ClF3N3O2.C16H17ClF3N3O3/c1-15-4-6-19(7-5-15)27-23(31)29-10-8-17(9-11-29)24(2,3)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-12(19-10-16(22)7-14-11-23-24-20(14)19)21(3,4)15-8-17-5-6-18(9-15)25(17)13(2)26;21-14-8-12-10-26-27-17(12)15(16(14)22)18(29)20(23,24)13-3-6-28(7-4-13)19(30)11-2-1-5-25-9-11;19-12-7-10-8-23-24-15(10)13(14(12)20)16(26)18(21,22)11-3-5-25(6-4-11)17(27)9-1-2-9;1-26-15(25)23-4-2-9(3-5-23)16(19,20)14(24)11-12(18)10(17)6-8-7-21-22-13(8)11/h4-7,12-14,17,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);7,10-12,15,17-18H,5-6,8-9H2,1-4H3,(H,23,24);1-2,5,8-10,13,18,29H,3-4,6-7H2,(H,26,27);7-9,11,16,26H,1-6H2,(H,23,24);6-7,9,14,24H,2-5H2,1H3,(H,21,22)/t22-;12?,15?,17-,18+;;;/m0..../s1.

What are the key properties of [4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate?

[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate has a molecular weight of 2047.33 g/mol, XLogP of 21.81, 18 rotatable bonds, 10 hydrogen bond donors, and 16 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]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate is sourced from PubChem (CID 158670991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).