2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole

C25H29N5O — CID 154639954

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 154639954) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
• PubChem CID: 154639954
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2[nH]c3ccc(-c4nnc(CC5CCCCN5)o4)cc3c2C(C)C)ccn1
• InChI: InChI=1S/C25H29N5O/c1-15(2)23-20-13-18(25-30-29-22(31-25)14-19-6-4-5-10-27-19)7-8-21(20)28-24(23)17-9-11-26-16(3)12-17/h7-9,11-13,15,19,27-28H,4-6,10,14H2,1-3H3
• InChIKey: JAMGHUSMHQSVOB-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 79.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?

The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (CID 154639954) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(CC5CCCCN5)o4)cc3c2C(C)C)ccn1.

What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?

The InChIKey is JAMGHUSMHQSVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-15(2)23-20-13-18(25-30-29-22(31-25)14-19-6-4-5-10-27-19)7-8-21(20)28-24(23)17-9-11-26-16(3)12-17/h7-9,11-13,15,19,27-28H,4-6,10,14H2,1-3H3.

What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 415.54 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154639954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).