2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole

C29H25F2N7O — CID 56968771

About 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole

2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole (PubChem CID 56968771) has the molecular formula C29H25F2N7O and a molecular weight of 525.56 g/mol. Its IUPAC name is 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• PubChem CID: 56968771
• Molecular Formula: C29H25F2N7O
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.21
• IUPAC Name: 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• SMILES: Cn1cc2cc(-c3n[nH]c4ccc(-c5nnc([C@@H]6CCCN(Cc7c(F)cccc7F)C6)o5)cc34)ccc2n1
• InChI: InChI=1S/C29H25F2N7O/c1-37-14-20-12-17(7-9-25(20)36-37)27-21-13-18(8-10-26(21)32-33-27)28-34-35-29(39-28)19-4-3-11-38(15-19)16-22-23(30)5-2-6-24(22)31/h2,5-10,12-14,19H,3-4,11,15-16H2,1H3,(H,32,33)/t19-/m1/s1
• InChIKey: UVRMCDLYSDIPPN-LJQANCHMSA-N
• XLogP: 5.82
• TPSA: 88.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole (CID 56968771) is 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole is Cn1cc2cc(-c3n[nH]c4ccc(-c5nnc([C@@H]6CCCN(Cc7c(F)cccc7F)C6)o5)cc34)ccc2n1.

What is the InChIKey of 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The InChIKey is UVRMCDLYSDIPPN-LJQANCHMSA-N. The full InChI is InChI=1S/C29H25F2N7O/c1-37-14-20-12-17(7-9-25(20)36-37)27-21-13-18(8-10-26(21)32-33-27)28-34-35-29(39-28)19-4-3-11-38(15-19)16-22-23(30)5-2-6-24(22)31/h2,5-10,12-14,19H,3-4,11,15-16H2,1H3,(H,32,33)/t19-/m1/s1.

What are the key properties of 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 525.56 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56968771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).