2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one

C98H135Cl5F3N17O11 — CID 160532281

About 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one

2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 160532281) has the molecular formula C98H135Cl5F3N17O11 and a molecular weight of 1961.52 g/mol. Its IUPAC name is 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 160532281
• Molecular Formula: C98H135Cl5F3N17O11
• Molecular Weight: 1961.52 g/mol
• Exact Mass: 1957.89
• IUPAC Name: 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
• SMILES: C=C(CC)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.COCCCNC(=O)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.COCCNC(=O)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C21H30ClFN4O3.C20H28ClFN4O3.C20H27ClFN3O.C19H26ClN3O2.C18H24ClN3O2/c1-21(2,14-5-8-27(9-6-14)20(29)24-7-4-10-30-3)19(28)16-17(23)15(22)11-13-12-25-26-18(13)16;1-20(2,13-4-7-26(8-5-13)19(28)23-6-9-29-3)18(27)15-16(22)14(21)10-12-11-24-25-17(12)15;1-5-12(2)25-8-6-14(7-9-25)20(3,4)19(26)16-17(22)15(21)10-13-11-23-24-18(13)16;1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15;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/h11-12,14,19,28H,4-10H2,1-3H3,(H,24,29)(H,25,26);10-11,13,18,27H,4-9H2,1-3H3,(H,23,28)(H,24,25);10-11,14,19,26H,2,5-9H2,1,3-4H3,(H,23,24);9-11,13,18,25H,4-8H2,1-3H3,(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t;;;18-;17-/m...00/s1
• InChIKey: QVRWKXQLPCRDOR-GXXKJCCHSA-N
• XLogP: 19.87
• TPSA: 371.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.52
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one (CID 160532281) is 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one is C=C(CC)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(C)(C)[C@@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.COCCCNC(=O)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.COCCNC(=O)N1CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is QVRWKXQLPCRDOR-GXXKJCCHSA-N. The full InChI is InChI=1S/C21H30ClFN4O3.C20H28ClFN4O3.C20H27ClFN3O.C19H26ClN3O2.C18H24ClN3O2/c1-21(2,14-5-8-27(9-6-14)20(29)24-7-4-10-30-3)19(28)16-17(23)15(22)11-13-12-25-26-18(13)16;1-20(2,13-4-7-26(8-5-13)19(28)23-6-9-29-3)18(27)15-16(22)14(21)10-12-11-24-25-17(12)15;1-5-12(2)25-8-6-14(7-9-25)20(3,4)19(26)16-17(22)15(21)10-13-11-23-24-18(13)16;1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15;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/h11-12,14,19,28H,4-10H2,1-3H3,(H,24,29)(H,25,26);10-11,13,18,27H,4-9H2,1-3H3,(H,23,28)(H,24,25);10-11,14,19,26H,2,5-9H2,1,3-4H3,(H,23,24);9-11,13,18,25H,4-8H2,1-3H3,(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21)/t;;;18-;17-/m...00/s1.

What are the key properties of 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one?

2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 1961.52 g/mol, XLogP of 19.87, 25 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide;4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 160532281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).