1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate

C100H138Cl5N15O11 — CID 159368585

About 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate

1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate (PubChem CID 159368585) has the molecular formula C100H138Cl5N15O11 and a molecular weight of 1903.56 g/mol. Its IUPAC name is 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
• PubChem CID: 159368585
• Molecular Formula: C100H138Cl5N15O11
• Molecular Weight: 1903.56 g/mol
• Exact Mass: 1899.91
• IUPAC Name: 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
• SMILES: C=C(OC)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)C2C(C)(C)C2(C)C)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCCC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCOC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C24H34ClN3O2.C20H28ClN3O2.C19H26ClN3O3.C19H26ClN3O2.C18H24ClN3O2/c1-22(2,20(29)17-12-16(25)11-14-13-26-27-18(14)17)15-7-9-28(10-8-15)21(30)19-23(3,4)24(19,5)6;1-4-5-17(25)24-8-6-14(7-9-24)20(2,3)19(26)16-11-15(21)10-13-12-22-23-18(13)16;1-4-26-18(25)23-7-5-13(6-8-23)19(2,3)17(24)15-10-14(20)9-12-11-21-22-16(12)15;1-12(25-4)23-7-5-14(6-8-23)19(2,3)18(24)16-10-15(20)9-13-11-21-22-17(13)16;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h11-13,15,19-20,29H,7-10H2,1-6H3,(H,26,27);10-12,14,19,26H,4-9H2,1-3H3,(H,22,23);9-11,13,17,24H,4-8H2,1-3H3,(H,21,22);9-11,14,18,24H,1,5-8H2,2-4H3,(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t20-;19-;17-;18-;17-/m11111/s1
• InChIKey: LJLFYQQUQRMZRT-KNWXPUONSA-N
• XLogP: 21.30
• TPSA: 347.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.56
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?

The IUPAC name of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate (CID 159368585) is 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?

The canonical SMILES for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate is C=C(OC)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)C2C(C)(C)C2(C)C)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CCCC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCOC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?

The InChIKey is LJLFYQQUQRMZRT-KNWXPUONSA-N. The full InChI is InChI=1S/C24H34ClN3O2.C20H28ClN3O2.C19H26ClN3O3.C19H26ClN3O2.C18H24ClN3O2/c1-22(2,20(29)17-12-16(25)11-14-13-26-27-18(14)17)15-7-9-28(10-8-15)21(30)19-23(3,4)24(19,5)6;1-4-5-17(25)24-8-6-14(7-9-24)20(2,3)19(26)16-11-15(21)10-13-12-22-23-18(13)16;1-4-26-18(25)23-7-5-13(6-8-23)19(2,3)17(24)15-10-14(20)9-12-11-21-22-16(12)15;1-12(25-4)23-7-5-14(6-8-23)19(2,3)18(24)16-10-15(20)9-13-11-21-22-17(13)16;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h11-13,15,19-20,29H,7-10H2,1-6H3,(H,26,27);10-12,14,19,26H,4-9H2,1-3H3,(H,22,23);9-11,13,17,24H,4-8H2,1-3H3,(H,21,22);9-11,14,18,24H,1,5-8H2,2-4H3,(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t20-;19-;17-;18-;17-/m11111/s1.

What are the key properties of 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate?

1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate has a molecular weight of 1903.56 g/mol, XLogP of 21.30, 21 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159368585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).