1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide

C111H129Cl5F3N21O10 — CID 158184368

About 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide

1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide (PubChem CID 158184368) has the molecular formula C111H129Cl5F3N21O10 and a molecular weight of 2151.65 g/mol. Its IUPAC name is 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide
• PubChem CID: 158184368
• Molecular Formula: C111H129Cl5F3N21O10
• Molecular Weight: 2151.65 g/mol
• Exact Mass: 2147.86
• IUPAC Name: 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide
• SMILES: C#CCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C#Cc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cn1.CC(C)(C1CCN(C(=O)Nc2cccc(C#N)c2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1ccc(CC(=O)N2CCC(C(F)(F)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1F
• InChI: InChI=1S/2C24H26ClN5O2.C23H23ClF3N3O2.C20H29ClN4O2.C20H25ClN4O2/c1-24(2,22(31)20-12-18(25)11-16-14-27-29-21(16)20)17-6-8-30(9-7-17)23(32)28-19-5-3-4-15(10-19)13-26;1-4-18-5-6-19(14-26-18)28-23(32)30-9-7-16(8-10-30)24(2,3)22(31)20-12-17(25)11-15-13-27-29-21(15)20;1-13-2-3-14(8-19(13)25)9-20(31)30-6-4-16(5-7-30)23(26,27)22(32)18-11-17(24)10-15-12-28-29-21(15)18;2*1-4-7-22-19(27)25-8-5-14(6-9-25)20(2,3)18(26)16-11-15(21)10-13-12-23-24-17(13)16/h3-5,10-12,14,17,22,31H,6-9H2,1-2H3,(H,27,29)(H,28,32);1,5-6,11-14,16,22,31H,7-10H2,2-3H3,(H,27,29)(H,28,32);2-3,8,10-12,16,22,32H,4-7,9H2,1H3,(H,28,29);10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24);1,10-12,14,18,26H,5-9H2,2-3H3,(H,22,27)(H,23,24)/t22-;;22-;2*18-/m1.111/s1
• InChIKey: FYYVEPHSAUCAND-DRUOMEORSA-N
• XLogP: 21.94
• TPSA: 430.90 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.65
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide?

The IUPAC name of 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide (CID 158184368) is 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide.

What is the SMILES notation for 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide?

The canonical SMILES for 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide is C#CCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C#Cc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cn1.CC(C)(C1CCN(C(=O)Nc2cccc(C#N)c2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1ccc(CC(=O)N2CCC(C(F)(F)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1F.

What is the InChIKey of 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide?

The InChIKey is FYYVEPHSAUCAND-DRUOMEORSA-N. The full InChI is InChI=1S/2C24H26ClN5O2.C23H23ClF3N3O2.C20H29ClN4O2.C20H25ClN4O2/c1-24(2,22(31)20-12-18(25)11-16-14-27-29-21(16)20)17-6-8-30(9-7-17)23(32)28-19-5-3-4-15(10-19)13-26;1-4-18-5-6-19(14-26-18)28-23(32)30-9-7-16(8-10-30)24(2,3)22(31)20-12-17(25)11-15-13-27-29-21(15)20;1-13-2-3-14(8-19(13)25)9-20(31)30-6-4-16(5-7-30)23(26,27)22(32)18-11-17(24)10-15-12-28-29-21(15)18;2*1-4-7-22-19(27)25-8-5-14(6-9-25)20(2,3)18(26)16-11-15(21)10-13-12-23-24-17(13)16/h3-5,10-12,14,17,22,31H,6-9H2,1-2H3,(H,27,29)(H,28,32);1,5-6,11-14,16,22,31H,7-10H2,2-3H3,(H,27,29)(H,28,32);2-3,8,10-12,16,22,32H,4-7,9H2,1H3,(H,28,29);10-12,14,18,26H,4-9H2,1-3H3,(H,22,27)(H,23,24);1,10-12,14,18,26H,5-9H2,2-3H3,(H,22,27)(H,23,24)/t22-;;22-;2*18-/m1.111/s1.

What are the key properties of 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide?

1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide has a molecular weight of 2151.65 g/mol, XLogP of 21.94, 22 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-ethynyl-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-prop-2-ynylpiperidine-1-carboxamide is sourced from PubChem (CID 158184368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).