2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole

C85H80ClF2N19O3S — CID 159755907

About 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole

2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole (PubChem CID 159755907) has the molecular formula C85H80ClF2N19O3S and a molecular weight of 1521.22 g/mol. Its IUPAC name is 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• PubChem CID: 159755907
• Molecular Formula: C85H80ClF2N19O3S
• Molecular Weight: 1521.22 g/mol
• Exact Mass: 1519.61
• IUPAC Name: 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• SMILES: CCn1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6cc(F)c(C)cc6Cl)C5)o4)cc23)cn1.CCn1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6cc7ccccc7s6)C5)o4)cc23)cn1.Fc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc6c(c5)C=CC6)c4c3)o2)C1
• InChI: InChI=1S/C30H26FN5O.C28H27N7OS.C27H27ClFN7O/c31-26-9-2-1-5-23(26)17-36-14-4-8-24(18-36)30-35-34-29(37-30)22-12-13-27-25(16-22)28(33-32-27)21-11-10-19-6-3-7-20(19)15-21;1-2-35-16-21(14-29-35)26-23-13-19(9-10-24(23)30-31-26)27-32-33-28(36-27)20-7-5-11-34(15-20)17-22-12-18-6-3-4-8-25(18)37-22;1-3-36-15-20(12-30-36)25-21-10-17(6-7-24(21)31-32-25)26-33-34-27(37-26)18-5-4-8-35(13-18)14-19-11-23(29)16(2)9-22(19)28/h1-3,5,7,9-13,15-16,24H,4,6,8,14,17-18H2,(H,32,33);3-4,6,8-10,12-14,16,20H,2,5,7,11,15,17H2,1H3,(H,30,31);6-7,9-12,15,18H,3-5,8,13-14H2,1-2H3,(H,31,32)/t24-;20-;18-/m111/s1
• InChIKey: NEGICVMXUYLRLU-CMNNGIBPSA-N
• XLogP: 18.44
• TPSA: 248.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.22
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole (CID 159755907) is 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole is CCn1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6cc(F)c(C)cc6Cl)C5)o4)cc23)cn1.CCn1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6cc7ccccc7s6)C5)o4)cc23)cn1.Fc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc6c(c5)C=CC6)c4c3)o2)C1.

What is the InChIKey of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The InChIKey is NEGICVMXUYLRLU-CMNNGIBPSA-N. The full InChI is InChI=1S/C30H26FN5O.C28H27N7OS.C27H27ClFN7O/c31-26-9-2-1-5-23(26)17-36-14-4-8-24(18-36)30-35-34-29(37-30)22-12-13-27-25(16-22)28(33-32-27)21-11-10-19-6-3-7-20(19)15-21;1-2-35-16-21(14-29-35)26-23-13-19(9-10-24(23)30-31-26)27-32-33-28(36-27)20-7-5-11-34(15-20)17-22-12-18-6-3-4-8-25(18)37-22;1-3-36-15-20(12-30-36)25-21-10-17(6-7-24(21)31-32-25)26-33-34-27(37-26)18-5-4-8-35(13-18)14-19-11-23(29)16(2)9-22(19)28/h1-3,5,7,9-13,15-16,24H,4,6,8,14,17-18H2,(H,32,33);3-4,6,8-10,12-14,16,20H,2,5,7,11,15,17H2,1H3,(H,30,31);6-7,9-12,15,18H,3-5,8,13-14H2,1-2H3,(H,31,32)/t24-;20-;18-/m111/s1.

What are the key properties of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 1521.22 g/mol, XLogP of 18.44, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-5-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 159755907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).