2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole

C57H53FN12O2S — CID 159634938

About 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole

2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole (PubChem CID 159634938) has the molecular formula C57H53FN12O2S and a molecular weight of 989.20 g/mol. Its IUPAC name is 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• PubChem CID: 159634938
• Molecular Formula: C57H53FN12O2S
• Molecular Weight: 989.20 g/mol
• Exact Mass: 988.41
• IUPAC Name: 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6c(C)cccc6F)C5)o4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6csc7ccccc67)C5)o4)cc23)ccn1
• InChI: InChI=1S/C29H26N6OS.C28H27FN6O/c1-18-13-19(10-11-30-18)27-24-14-20(8-9-25(24)31-32-27)28-33-34-29(36-28)21-5-4-12-35(15-21)16-22-17-37-26-7-3-2-6-23(22)26;1-17-5-3-7-24(29)23(17)16-35-12-4-6-21(15-35)28-34-33-27(36-28)20-8-9-25-22(14-20)26(32-31-25)19-10-11-30-18(2)13-19/h2-3,6-11,13-14,17,21H,4-5,12,15-16H2,1H3,(H,31,32);3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H,31,32)/t2*21-/m11/s1
• InChIKey: MPPRSUGNXSTABJ-PRFAJPDFSA-N
• XLogP: 12.39
• TPSA: 167.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.20
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole (CID 159634938) is 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole is Cc1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6c(C)cccc6F)C5)o4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6csc7ccccc67)C5)o4)cc23)ccn1.

What is the InChIKey of 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The InChIKey is MPPRSUGNXSTABJ-PRFAJPDFSA-N. The full InChI is InChI=1S/C29H26N6OS.C28H27FN6O/c1-18-13-19(10-11-30-18)27-24-14-20(8-9-25(24)31-32-27)28-33-34-29(36-28)21-5-4-12-35(15-21)16-22-17-37-26-7-3-2-6-23(22)26;1-17-5-3-7-24(29)23(17)16-35-12-4-6-21(15-35)28-34-33-27(36-28)20-8-9-25-22(14-20)26(32-31-25)19-10-11-30-18(2)13-19/h2-3,6-11,13-14,17,21H,4-5,12,15-16H2,1H3,(H,31,32);3,5,7-11,13-14,21H,4,6,12,15-16H2,1-2H3,(H,31,32)/t2*21-/m11/s1.

What are the key properties of 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 989.20 g/mol, XLogP of 12.39, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 159634938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).