2-(3-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole

C31H28N8O — CID 56968989

About 2-(3-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole

2-(3-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 56968989) has the molecular formula C31H28N8O and a molecular weight of 528.62 g/mol. Its IUPAC name is 2-(3-imidazo[1,2-a]pyridin-6-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-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
• PubChem CID: 56968989
• Molecular Formula: C31H28N8O
• Molecular Weight: 528.62 g/mol
• Exact Mass: 528.24
• IUPAC Name: 2-(3-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
• SMILES: Cn1cc(CN2CCC[C@@H](c3nnc(-c4ccc5[nH]nc(-c6ccc7nccn7c6)c5c4)o3)C2)c2ccccc21
• InChI: InChI=1S/C31H28N8O/c1-37-16-23(24-6-2-3-7-27(24)37)18-38-13-4-5-22(17-38)31-36-35-30(40-31)20-8-10-26-25(15-20)29(34-33-26)21-9-11-28-32-12-14-39(28)19-21/h2-3,6-12,14-16,19,22H,4-5,13,17-18H2,1H3,(H,33,34)/t22-/m1/s1
• InChIKey: NJVXKZSXFDUSLZ-JOCHJYFZSA-N
• XLogP: 5.80
• TPSA: 93.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.62
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazo[1,2-a]pyridin-6-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-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (CID 56968989) is 2-(3-imidazo[1,2-a]pyridin-6-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-imidazo[1,2-a]pyridin-6-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-imidazo[1,2-a]pyridin-6-yl-1H-indazol-5-yl)-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole is Cn1cc(CN2CCC[C@@H](c3nnc(-c4ccc5[nH]nc(-c6ccc7nccn7c6)c5c4)o3)C2)c2ccccc21.

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

The InChIKey is NJVXKZSXFDUSLZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C31H28N8O/c1-37-16-23(24-6-2-3-7-27(24)37)18-38-13-4-5-22(17-38)31-36-35-30(40-31)20-8-10-26-25(15-20)29(34-33-26)21-9-11-28-32-12-14-39(28)19-21/h2-3,6-12,14-16,19,22H,4-5,13,17-18H2,1H3,(H,33,34)/t22-/m1/s1.

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

2-(3-imidazo[1,2-a]pyridin-6-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 528.62 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-imidazo[1,2-a]pyridin-6-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 56968989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).