4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide

C85H118Cl4N16O10S — CID 158062338

About 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide (PubChem CID 158062338) has the molecular formula C85H118Cl4N16O10S and a molecular weight of 1697.86 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide
• PubChem CID: 158062338
• Molecular Formula: C85H118Cl4N16O10S
• Molecular Weight: 1697.86 g/mol
• Exact Mass: 1694.77
• IUPAC Name: 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide
• SMILES: C#CCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=S(C)(=O)CCNC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC2CCNCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCOCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
• InChI: InChI=1S/C22H32ClN5O2.C22H31ClN4O3.C21H31ClN4O3S.C20H24ClN3O2/c1-22(2,20(29)18-12-16(23)11-14-13-25-27-19(14)18)15-5-9-28(10-6-15)21(30)26-17-3-7-24-8-4-17;1-22(2,20(28)18-12-16(23)11-14-13-24-26-19(14)18)15-3-7-27(8-4-15)21(29)25-17-5-9-30-10-6-17;1-21(2,19(27)17-12-16(22)11-14-13-24-25-18(14)17)15-5-8-26(9-6-15)20(28)23-7-10-30(3,4)29;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/h11-13,15,17,20,24,29H,3-10H2,1-2H3,(H,25,27)(H,26,30);11-13,15,17,20,28H,3-10H2,1-2H3,(H,24,26)(H,25,29);11-13,15,19,27H,3,5-10H2,1-2,4H3,(H,23,28)(H,24,25);1,10-12,14,19,26H,5-9H2,2-3H3,(H,22,23)
• InChIKey: FKULQSXSEQYTPF-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 351.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1697.86
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide?

The IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide (CID 158062338) is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide?

The canonical SMILES for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide is C#CCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=S(C)(=O)CCNC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC2CCNCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCOCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.

What is the InChIKey of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide?

The InChIKey is FKULQSXSEQYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN5O2.C22H31ClN4O3.C21H31ClN4O3S.C20H24ClN3O2/c1-22(2,20(29)18-12-16(23)11-14-13-25-27-19(14)18)15-5-9-28(10-6-15)21(30)26-17-3-7-24-8-4-17;1-22(2,20(28)18-12-16(23)11-14-13-24-26-19(14)18)15-3-7-27(8-4-15)21(29)25-17-5-9-30-10-6-17;1-21(2,19(27)17-12-16(22)11-14-13-24-25-18(14)17)15-5-8-26(9-6-15)20(28)23-7-10-30(3,4)29;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/h11-13,15,17,20,24,29H,3-10H2,1-2H3,(H,25,27)(H,26,30);11-13,15,17,20,28H,3-10H2,1-2H3,(H,24,26)(H,25,29);11-13,15,19,27H,3,5-10H2,1-2,4H3,(H,23,28)(H,24,25);1,10-12,14,19,26H,5-9H2,2-3H3,(H,22,23).

What are the key properties of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide?

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide has a molecular weight of 1697.86 g/mol, XLogP of 13.91, 18 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(oxan-4-yl)piperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-piperidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 158062338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).