4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one

C76H87Cl4F8N13O8 — CID 158279745

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one (PubChem CID 158279745) has the molecular formula C76H87Cl4F8N13O8 and a molecular weight of 1604.41 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one
• PubChem CID: 158279745
• Molecular Formula: C76H87Cl4F8N13O8
• Molecular Weight: 1604.41 g/mol
• Exact Mass: 1601.54
• IUPAC Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one
• SMILES: CC(C)CC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.O=C(CC1CC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.O=C(Nc1ccccc1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C21H21ClF2N4O2.C19H22ClF2N3O2.C19H24ClF2N3O2.C17H20ClF2N3O2/c22-15-10-13-12-25-27-18(13)17(11-15)19(29)21(23,24)14-6-8-28(9-7-14)20(30)26-16-4-2-1-3-5-16;20-14-8-12-10-23-24-17(12)15(9-14)18(27)19(21,22)13-3-5-25(6-4-13)16(26)7-11-1-2-11;1-11(2)7-16(26)25-5-3-13(4-6-25)19(21,22)18(27)15-9-14(20)8-12-10-23-24-17(12)15;1-2-14(24)23-5-3-11(4-6-23)17(19,20)16(25)13-8-12(18)7-10-9-21-22-15(10)13/h1-5,10-12,14,19,29H,6-9H2,(H,25,27)(H,26,30);8-11,13,18,27H,1-7H2,(H,23,24);8-11,13,18,27H,3-7H2,1-2H3,(H,23,24);7-9,11,16,25H,2-6H2,1H3,(H,21,22)
• InChIKey: GKBLCORVOURXRS-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 288.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1604.41
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one (CID 158279745) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one is CC(C)CC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.O=C(CC1CC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.O=C(Nc1ccccc1)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-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one?

The InChIKey is GKBLCORVOURXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4O2.C19H22ClF2N3O2.C19H24ClF2N3O2.C17H20ClF2N3O2/c22-15-10-13-12-25-27-18(13)17(11-15)19(29)21(23,24)14-6-8-28(9-7-14)20(30)26-16-4-2-1-3-5-16;20-14-8-12-10-23-24-17(12)15(9-14)18(27)19(21,22)13-3-5-25(6-4-13)16(26)7-11-1-2-11;1-11(2)7-16(26)25-5-3-13(4-6-25)19(21,22)18(27)15-9-14(20)8-12-10-23-24-17(12)15;1-2-14(24)23-5-3-11(4-6-23)17(19,20)16(25)13-8-12(18)7-10-9-21-22-15(10)13/h1-5,10-12,14,19,29H,6-9H2,(H,25,27)(H,26,30);8-11,13,18,27H,1-7H2,(H,23,24);8-11,13,18,27H,3-7H2,1-2H3,(H,23,24);7-9,11,16,25H,2-6H2,1H3,(H,21,22).

What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one?

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one has a molecular weight of 1604.41 g/mol, XLogP of 16.46, 18 rotatable bonds, 9 hydrogen bond donors, and 12 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-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 158279745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).