2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde

C25H29N5O — CID 166655588

About 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde

2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde (PubChem CID 166655588) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
• PubChem CID: 166655588
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
• SMILES: Cc1nc2ccc(-c3[nH]c4ccc(C5CCN(CC=O)CC5)cc4c3C(C)C)cn2n1
• InChI: InChI=1S/C25H29N5O/c1-16(2)24-21-14-19(18-8-10-29(11-9-18)12-13-31)4-6-22(21)27-25(24)20-5-7-23-26-17(3)28-30(23)15-20/h4-7,13-16,18,27H,8-12H2,1-3H3
• InChIKey: BZKYNJFHCRNKDV-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?

The IUPAC name of 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde (CID 166655588) is 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde.

What is the SMILES notation for 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?

The canonical SMILES for 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde is Cc1nc2ccc(-c3[nH]c4ccc(C5CCN(CC=O)CC5)cc4c3C(C)C)cn2n1.

What is the InChIKey of 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?

The InChIKey is BZKYNJFHCRNKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-16(2)24-21-14-19(18-8-10-29(11-9-18)12-13-31)4-6-22(21)27-25(24)20-5-7-23-26-17(3)28-30(23)15-20/h4-7,13-16,18,27H,8-12H2,1-3H3.

What are the key properties of 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?

2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde has a molecular weight of 415.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 166655588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).