4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate

C82H94Cl4F2N14O9 — CID 160895732

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate (PubChem CID 160895732) has the molecular formula C82H94Cl4F2N14O9 and a molecular weight of 1599.55 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate
• PubChem CID: 160895732
• Molecular Formula: C82H94Cl4F2N14O9
• Molecular Weight: 1599.55 g/mol
• Exact Mass: 1596.61
• IUPAC Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate
• SMILES: CC(=O)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.COC(=O)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.Cc1ccc(NC(=O)N2CCC(C3(C(O)c4cc(Cl)cc5cn[nH]c45)CC3)CC2)cc1.Cc1cccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1
• InChI: InChI=1S/C24H27ClN4O2.C22H23ClF2N4O2.C18H22ClN3O3.C18H22ClN3O2/c1-15-2-4-19(5-3-15)27-23(31)29-10-6-17(7-11-29)24(8-9-24)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-13-3-2-4-17(9-13)27-21(31)29-7-5-15(6-8-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18;1-25-17(24)22-6-2-12(3-7-22)18(4-5-18)16(23)14-9-13(19)8-11-10-20-21-15(11)14;1-11(23)22-6-2-13(3-7-22)18(4-5-18)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h2-5,12-14,17,22,30H,6-11H2,1H3,(H,26,28)(H,27,31);2-4,9-12,15,20,30H,5-8H2,1H3,(H,26,28)(H,27,31);8-10,12,16,23H,2-7H2,1H3,(H,20,21);8-10,13,17,24H,2-7H2,1H3,(H,20,21)
• InChIKey: SOVTYLLNJFJHMU-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 310.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1599.55
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate?

The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate (CID 160895732) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate.

What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate?

The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate is CC(=O)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.COC(=O)N1CCC(C2(C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.Cc1ccc(NC(=O)N2CCC(C3(C(O)c4cc(Cl)cc5cn[nH]c45)CC3)CC2)cc1.Cc1cccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.

What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate?

The InChIKey is SOVTYLLNJFJHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2.C22H23ClF2N4O2.C18H22ClN3O3.C18H22ClN3O2/c1-15-2-4-19(5-3-15)27-23(31)29-10-6-17(7-11-29)24(8-9-24)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-13-3-2-4-17(9-13)27-21(31)29-7-5-15(6-8-29)22(24,25)20(30)18-11-16(23)10-14-12-26-28-19(14)18;1-25-17(24)22-6-2-12(3-7-22)18(4-5-18)16(23)14-9-13(19)8-11-10-20-21-15(11)14;1-11(23)22-6-2-13(3-7-22)18(4-5-18)17(24)15-9-14(19)8-12-10-20-21-16(12)15/h2-5,12-14,17,22,30H,6-11H2,1H3,(H,26,28)(H,27,31);2-4,9-12,15,20,30H,5-8H2,1H3,(H,26,28)(H,27,31);8-10,12,16,23H,2-7H2,1H3,(H,20,21);8-10,13,17,24H,2-7H2,1H3,(H,20,21).

What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate?

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate has a molecular weight of 1599.55 g/mol, XLogP of 17.22, 14 rotatable bonds, 10 hydrogen bond donors, and 13 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-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 160895732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).