3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole

C112H112F4N26O4S — CID 159953136

About 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole

3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 159953136) has the molecular formula C112H112F4N26O4S and a molecular weight of 1994.36 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
• PubChem CID: 159953136
• Molecular Formula: C112H112F4N26O4S
• Molecular Weight: 1994.36 g/mol
• Exact Mass: 1992.90
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
• SMILES: C=C(CN1CCCC(c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1)N1CCCCC1.CC(C)Oc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6c(F)cccc6F)C5)n4)cc23)cc1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccc6c(c5)OCO6)c4c3)n[nH]2)C1.c1csc(CN2CCC[C@@H](c3nc(-c4ccc5[nH]nc(-c6ccc7c(c6)CCO7)c5c4)n[nH]3)C2)c1
• InChI: InChI=1S/C30H30F2N6O.C28H24F2N6O2.C27H32N8.C27H26N6OS/c1-18(2)39-22-11-8-19(9-12-22)28-23-15-20(10-13-27(23)34-35-28)29-33-30(37-36-29)21-5-4-14-38(16-21)17-24-25(31)6-3-7-26(24)32;29-21-4-1-5-22(30)20(21)14-36-10-2-3-18(13-36)28-31-27(34-35-28)17-6-8-23-19(11-17)26(33-32-23)16-7-9-24-25(12-16)38-15-37-24;1-19(35-14-3-2-4-15-35)17-34-13-5-6-22(18-34)27-29-26(32-33-27)21-7-8-24-23(16-21)25(31-30-24)20-9-11-28-12-10-20;1-3-20(15-33(10-1)16-21-4-2-12-35-21)27-28-26(31-32-27)19-5-7-23-22(14-19)25(30-29-23)18-6-8-24-17(13-18)9-11-34-24/h3,6-13,15,18,21H,4-5,14,16-17H2,1-2H3,(H,34,35)(H,33,36,37);1,4-9,11-12,18H,2-3,10,13-15H2,(H,32,33)(H,31,34,35);7-12,16,22H,1-6,13-15,17-18H2,(H,30,31)(H,29,32,33);2,4-8,12-14,20H,1,3,9-11,15-16H2,(H,29,30)(H,28,31,32)/t21-;18-;;20-/m11.1/s1
• InChIKey: OCJFVQSKRQWIKJ-AVLCGFHXSA-N
• XLogP: 21.84
• TPSA: 347.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.36
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole (CID 159953136) is 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole is C=C(CN1CCCC(c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)n[nH]2)C1)N1CCCCC1.CC(C)Oc1ccc(-c2n[nH]c3ccc(-c4n[nH]c([C@@H]5CCCN(Cc6c(F)cccc6F)C5)n4)cc23)cc1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccc6c(c5)OCO6)c4c3)n[nH]2)C1.c1csc(CN2CCC[C@@H](c3nc(-c4ccc5[nH]nc(-c6ccc7c(c6)CCO7)c5c4)n[nH]3)C2)c1.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?

The InChIKey is OCJFVQSKRQWIKJ-AVLCGFHXSA-N. The full InChI is InChI=1S/C30H30F2N6O.C28H24F2N6O2.C27H32N8.C27H26N6OS/c1-18(2)39-22-11-8-19(9-12-22)28-23-15-20(10-13-27(23)34-35-28)29-33-30(37-36-29)21-5-4-14-38(16-21)17-24-25(31)6-3-7-26(24)32;29-21-4-1-5-22(30)20(21)14-36-10-2-3-18(13-36)28-31-27(34-35-28)17-6-8-23-19(11-17)26(33-32-23)16-7-9-24-25(12-16)38-15-37-24;1-19(35-14-3-2-4-15-35)17-34-13-5-6-22(18-34)27-29-26(32-33-27)21-7-8-24-23(16-21)25(31-30-24)20-9-11-28-12-10-20;1-3-20(15-33(10-1)16-21-4-2-12-35-21)27-28-26(31-32-27)19-5-7-23-22(14-19)25(30-29-23)18-6-8-24-17(13-18)9-11-34-24/h3,6-13,15,18,21H,4-5,14,16-17H2,1-2H3,(H,34,35)(H,33,36,37);1,4-9,11-12,18H,2-3,10,13-15H2,(H,32,33)(H,31,34,35);7-12,16,22H,1-6,13-15,17-18H2,(H,30,31)(H,29,32,33);2,4-8,12-14,20H,1,3,9-11,15-16H2,(H,29,30)(H,28,31,32)/t21-;18-;;20-/m11.1/s1.

What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole?

3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 1994.36 g/mol, XLogP of 21.84, 23 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole;3-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 159953136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).