4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide

C64H85Cl3F6N12O7S — CID 160946973

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 160946973) has the molecular formula C64H85Cl3F6N12O7S and a molecular weight of 1386.87 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 160946973
• Molecular Formula: C64H85Cl3F6N12O7S
• Molecular Weight: 1386.87 g/mol
• Exact Mass: 1384.54
• IUPAC Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide
• SMILES: C=S1(=O)CCC(CNC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CC(C)(C)CNC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.O=C(NCC1CCCCC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C22H29ClF2N4O3S.C22H29ClF2N4O2.C20H27ClF2N4O2/c1-33(32)8-4-14(5-9-33)12-26-21(31)29-6-2-16(3-7-29)22(24,25)20(30)18-11-17(23)10-15-13-27-28-19(15)18;23-17-10-15-13-27-28-19(15)18(11-17)20(30)22(24,25)16-6-8-29(9-7-16)21(31)26-12-14-4-2-1-3-5-14;1-19(2,3)11-24-18(29)27-6-4-13(5-7-27)20(22,23)17(28)15-9-14(21)8-12-10-25-26-16(12)15/h10-11,13-14,16,20,30H,1-9,12H2,(H,26,31)(H,27,28);10-11,13-14,16,20,30H,1-9,12H2,(H,26,31)(H,27,28);8-10,13,17,28H,4-7,11H2,1-3H3,(H,24,29)(H,25,26)
• InChIKey: SVGBPBXBRLGDKE-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 260.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1386.87
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide (CID 160946973) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide is C=S1(=O)CCC(CNC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CC(C)(C)CNC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.O=C(NCC1CCCCC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide?

The InChIKey is SVGBPBXBRLGDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClF2N4O3S.C22H29ClF2N4O2.C20H27ClF2N4O2/c1-33(32)8-4-14(5-9-33)12-26-21(31)29-6-2-16(3-7-29)22(24,25)20(30)18-11-17(23)10-15-13-27-28-19(15)18;23-17-10-15-13-27-28-19(15)18(11-17)20(30)22(24,25)16-6-8-29(9-7-16)21(31)26-12-14-4-2-1-3-5-14;1-19(2,3)11-24-18(29)27-6-4-13(5-7-27)20(22,23)17(28)15-9-14(21)8-12-10-25-26-16(12)15/h10-11,13-14,16,20,30H,1-9,12H2,(H,26,31)(H,27,28);10-11,13-14,16,20,30H,1-9,12H2,(H,26,31)(H,27,28);8-10,13,17,28H,4-7,11H2,1-3H3,(H,24,29)(H,25,26).

What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide?

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 1386.87 g/mol, XLogP of 12.67, 14 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclohexylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2-dimethylpropyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-methylidene-1-oxothian-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 160946973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).