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

C32H30N8O — CID 56968985

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

2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 56968985) has the molecular formula C32H30N8O and a molecular weight of 542.65 g/mol. Its IUPAC name is 2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
• PubChem CID: 56968985
• Molecular Formula: C32H30N8O
• Molecular Weight: 542.65 g/mol
• Exact Mass: 542.25
• IUPAC Name: 2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
• SMILES: Cn1cc2cc(-c3n[nH]c4ccc(-c5nnc([C@@H]6CCCN(Cc7cn(C)c8ccccc78)C6)o5)cc34)ccc2n1
• InChI: InChI=1S/C32H30N8O/c1-38-16-24(25-7-3-4-8-29(25)38)19-40-13-5-6-22(18-40)32-36-35-31(41-32)21-10-12-28-26(15-21)30(34-33-28)20-9-11-27-23(14-20)17-39(2)37-27/h3-4,7-12,14-17,22H,5-6,13,18-19H2,1-2H3,(H,33,34)/t22-/m1/s1
• InChIKey: XHAZETXFZFHKLQ-JOCHJYFZSA-N
• XLogP: 6.04
• TPSA: 93.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.65
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (CID 56968985) is 2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole.

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

The canonical SMILES for 2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole is Cn1cc2cc(-c3n[nH]c4ccc(-c5nnc([C@@H]6CCCN(Cc7cn(C)c8ccccc78)C6)o5)cc34)ccc2n1.

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

The InChIKey is XHAZETXFZFHKLQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H30N8O/c1-38-16-24(25-7-3-4-8-29(25)38)19-40-13-5-6-22(18-40)32-36-35-31(41-32)21-10-12-28-26(15-21)30(34-33-28)20-9-11-27-23(14-20)17-39(2)37-27/h3-4,7-12,14-17,22H,5-6,13,18-19H2,1-2H3,(H,33,34)/t22-/m1/s1.

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

2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 542.65 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56968985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).