tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone

C87H106Cl5F4N13O9 — CID 159040593

About tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone

tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone (PubChem CID 159040593) has the molecular formula C87H106Cl5F4N13O9 and a molecular weight of 1731.14 g/mol. Its IUPAC name is tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone.

Molecular Properties

• Compound Name: tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone
• PubChem CID: 159040593
• Molecular Formula: C87H106Cl5F4N13O9
• Molecular Weight: 1731.14 g/mol
• Exact Mass: 1727.66
• IUPAC Name: tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone
• SMILES: CC(C)(C)OC(=O)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.C[C@@H](NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1)c1ccccc1.Cc1cccc(Cl)c1C(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C25H31ClN4O2.C24H27Cl2N3O2.C21H29ClFN3O3.C17H19ClF3N3O2/c1-16(17-7-5-4-6-8-17)28-24(32)30-11-9-19(10-12-30)25(2,3)23(31)21-14-20(26)13-18-15-27-29-22(18)21;1-14-5-4-6-19(26)20(14)23(31)29-9-7-16(8-10-29)24(2,3)22(30)18-12-17(25)11-15-13-27-28-21(15)18;1-20(2,3)29-19(28)26-8-6-13(7-9-26)21(4,5)18(27)15-16(23)14(22)10-12-11-24-25-17(12)15;1-2-12(25)24-5-3-10(4-6-24)17(20,21)16(26)13-14(19)11(18)7-9-8-22-23-15(9)13/h4-8,13-16,19,23,31H,9-12H2,1-3H3,(H,27,29)(H,28,32);4-6,11-13,16,22,30H,7-10H2,1-3H3,(H,27,28);10-11,13,18,27H,6-9H2,1-5H3,(H,24,25);7-8,10,16,26H,2-6H2,1H3,(H,22,23)/t16-,23?;;;/m1.../s1
• InChIKey: JVZSEYBUMNHFPI-PCADDPDLSA-N
• XLogP: 19.98
• TPSA: 298.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.14
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone?

The IUPAC name of tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone (CID 159040593) is tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone.

What is the SMILES notation for tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone?

The canonical SMILES for tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone is CC(C)(C)OC(=O)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(F)(F)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.C[C@@H](NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1)c1ccccc1.Cc1cccc(Cl)c1C(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone?

The InChIKey is JVZSEYBUMNHFPI-PCADDPDLSA-N. The full InChI is InChI=1S/C25H31ClN4O2.C24H27Cl2N3O2.C21H29ClFN3O3.C17H19ClF3N3O2/c1-16(17-7-5-4-6-8-17)28-24(32)30-11-9-19(10-12-30)25(2,3)23(31)21-14-20(26)13-18-15-27-29-22(18)21;1-14-5-4-6-19(26)20(14)23(31)29-9-7-16(8-10-29)24(2,3)22(30)18-12-17(25)11-15-13-27-28-21(15)18;1-20(2,3)29-19(28)26-8-6-13(7-9-26)21(4,5)18(27)15-16(23)14(22)10-12-11-24-25-17(12)15;1-2-12(25)24-5-3-10(4-6-24)17(20,21)16(26)13-14(19)11(18)7-9-8-22-23-15(9)13/h4-8,13-16,19,23,31H,9-12H2,1-3H3,(H,27,29)(H,28,32);4-6,11-13,16,22,30H,7-10H2,1-3H3,(H,27,28);10-11,13,18,27H,6-9H2,1-5H3,(H,24,25);7-8,10,16,26H,2-6H2,1H3,(H,22,23)/t16-,23?;;;/m1.../s1.

What are the key properties of tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone?

tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone has a molecular weight of 1731.14 g/mol, XLogP of 19.98, 16 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone is sourced from PubChem (CID 159040593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).