2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone

C24H27F2N3O5 — CID 167703173

About 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone (PubChem CID 167703173) has the molecular formula C24H27F2N3O5 and a molecular weight of 475.49 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
• PubChem CID: 167703173
• Molecular Formula: C24H27F2N3O5
• Molecular Weight: 475.49 g/mol
• Exact Mass: 475.19
• IUPAC Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(OCCNCCO)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C24H27F2N3O5/c1-32-20-11-16(12-21(34-24(25)26)23(20)19(31)10-15-2-3-15)18-14-28-22-13-17(4-7-29(18)22)33-9-6-27-5-8-30/h4,7,11-15,24,27,30H,2-3,5-6,8-10H2,1H3
• InChIKey: YRXLEVZECUQQSZ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 94.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.49
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone (CID 167703173) is 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone is COc1cc(-c2cnc3cc(OCCNCCO)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

What is the InChIKey of 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone?

The InChIKey is YRXLEVZECUQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O5/c1-32-20-11-16(12-21(34-24(25)26)23(20)19(31)10-15-2-3-15)18-14-28-22-13-17(4-7-29(18)22)33-9-6-27-5-8-30/h4,7,11-15,24,27,30H,2-3,5-6,8-10H2,1H3.

What are the key properties of 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone?

2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone has a molecular weight of 475.49 g/mol, XLogP of 3.55, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone is sourced from PubChem (CID 167703173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).