2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde

C26H28N6O2 — CID 90732446

About 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde

2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde (PubChem CID 90732446) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde
• PubChem CID: 90732446
• Molecular Formula: C26H28N6O2
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.23
• IUPAC Name: 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde
• SMILES: COc1cc(C2CCN(CC=O)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1
• InChI: InChI=1S/C26H28N6O2/c1-18-16-28-26(30-25(18)22-17-27-24-5-3-4-10-32(22)24)29-21-7-6-20(15-23(21)34-2)19-8-11-31(12-9-19)13-14-33/h3-7,10,14-17,19H,8-9,11-13H2,1-2H3,(H,28,29,30)
• InChIKey: LGQCFYOLAIVUTK-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde?

The IUPAC name of 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde (CID 90732446) is 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde.

What is the SMILES notation for 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde?

The canonical SMILES for 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde is COc1cc(C2CCN(CC=O)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1.

What is the InChIKey of 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde?

The InChIKey is LGQCFYOLAIVUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-18-16-28-26(30-25(18)22-17-27-24-5-3-4-10-32(22)24)29-21-7-6-20(15-23(21)34-2)19-8-11-31(12-9-19)13-14-33/h3-7,10,14-17,19H,8-9,11-13H2,1-2H3,(H,28,29,30).

What are the key properties of 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde?

2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde has a molecular weight of 456.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 90732446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).