2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide

C32H43N7O5 — CID 177247494

About 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide

2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide (PubChem CID 177247494) has the molecular formula C32H43N7O5 and a molecular weight of 605.74 g/mol. Its IUPAC name is 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide
• PubChem CID: 177247494
• Molecular Formula: C32H43N7O5
• Molecular Weight: 605.74 g/mol
• Exact Mass: 605.33
• IUPAC Name: 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide
• SMILES: CNc1nc2ncc(-c3c(C)noc3C)cc2n1Cc1cccc(OCC(=O)NCCOCCOCCC2CCNCC2)c1
• InChI: InChI=1S/C32H43N7O5/c1-22-30(23(2)44-38-22)26-18-28-31(36-19-26)37-32(33-3)39(28)20-25-5-4-6-27(17-25)43-21-29(40)35-12-14-42-16-15-41-13-9-24-7-10-34-11-8-24/h4-6,17-19,24,34H,7-16,20-21H2,1-3H3,(H,35,40)(H,33,36,37)
• InChIKey: JXAWSLBYZSCGOM-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 137.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.74
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide?

The IUPAC name of 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide (CID 177247494) is 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide?

The canonical SMILES for 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide is CNc1nc2ncc(-c3c(C)noc3C)cc2n1Cc1cccc(OCC(=O)NCCOCCOCCC2CCNCC2)c1.

What is the InChIKey of 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide?

The InChIKey is JXAWSLBYZSCGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O5/c1-22-30(23(2)44-38-22)26-18-28-31(36-19-26)37-32(33-3)39(28)20-25-5-4-6-27(17-25)43-21-29(40)35-12-14-42-16-15-41-13-9-24-7-10-34-11-8-24/h4-6,17-19,24,34H,7-16,20-21H2,1-3H3,(H,35,40)(H,33,36,37).

What are the key properties of 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide?

2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide has a molecular weight of 605.74 g/mol, XLogP of 3.71, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 177247494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).