tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone

C106H131Cl5F7N15O12S — CID 159290143

About tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone

tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 159290143) has the molecular formula C106H131Cl5F7N15O12S and a molecular weight of 2149.62 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

• Compound Name: tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone
• PubChem CID: 159290143
• Molecular Formula: C106H131Cl5F7N15O12S
• Molecular Weight: 2149.62 g/mol
• Exact Mass: 2145.82
• IUPAC Name: tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone
• SMILES: C=S(C)(=O)N1CCC(C(C)(C)[C@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(F)(F)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(F)(F)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1cc(CC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)ccc1F.Cc1ccc(CC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1F
• InChI: InChI=1S/2C25H29ClFN3O2.2C19H24ClF2N3O3.C18H25ClFN3O2S/c1-15-10-16(4-5-21(15)27)11-22(31)30-8-6-18(7-9-30)25(2,3)24(32)20-13-19(26)12-17-14-28-29-23(17)20;1-15-4-5-16(10-21(15)27)11-22(31)30-8-6-18(7-9-30)25(2,3)24(32)20-13-19(26)12-17-14-28-29-23(17)20;2*1-18(2,3)28-17(27)25-6-4-12(5-7-25)19(21,22)16(26)14-9-13(20)8-11-10-23-24-15(11)14;1-18(2,12-5-7-23(8-6-12)26(3,4)25)17(24)14-15(20)13(19)9-11-10-21-22-16(11)14/h2*4-5,10,12-14,18,24,32H,6-9,11H2,1-3H3,(H,28,29);2*8-10,12,16,26H,4-7H2,1-3H3,(H,23,24);9-10,12,17,24H,3,5-8H2,1-2,4H3,(H,21,22)/t2*24-;2*16-;17-,26?/m11101/s1
• InChIKey: KZZYEMPCSGXLAM-RQKBUVFTSA-N
• XLogP: 22.86
• TPSA: 364.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.62
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone?

The IUPAC name of tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone (CID 159290143) is tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone.

What is the SMILES notation for tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone?

The canonical SMILES for tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone is C=S(C)(=O)N1CCC(C(C)(C)[C@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(F)(F)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(F)(F)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1cc(CC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)ccc1F.Cc1ccc(CC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1F.

What is the InChIKey of tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone?

The InChIKey is KZZYEMPCSGXLAM-RQKBUVFTSA-N. The full InChI is InChI=1S/2C25H29ClFN3O2.2C19H24ClF2N3O3.C18H25ClFN3O2S/c1-15-10-16(4-5-21(15)27)11-22(31)30-8-6-18(7-9-30)25(2,3)24(32)20-13-19(26)12-17-14-28-29-23(17)20;1-15-4-5-16(10-21(15)27)11-22(31)30-8-6-18(7-9-30)25(2,3)24(32)20-13-19(26)12-17-14-28-29-23(17)20;2*1-18(2,3)28-17(27)25-6-4-12(5-7-25)19(21,22)16(26)14-9-13(20)8-11-10-23-24-15(11)14;1-18(2,12-5-7-23(8-6-12)26(3,4)25)17(24)14-15(20)13(19)9-11-10-21-22-16(11)14/h2*4-5,10,12-14,18,24,32H,6-9,11H2,1-3H3,(H,28,29);2*8-10,12,16,26H,4-7H2,1-3H3,(H,23,24);9-10,12,17,24H,3,5-8H2,1-2,4H3,(H,21,22)/t2*24-;2*16-;17-,26?/m11101/s1.

What are the key properties of tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone?

tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 2149.62 g/mol, XLogP of 22.86, 20 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 159290143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).