2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

C29H33F2N3O5 — CID 167629249

About 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167629249) has the molecular formula C29H33F2N3O5 and a molecular weight of 541.60 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• PubChem CID: 167629249
• Molecular Formula: C29H33F2N3O5
• Molecular Weight: 541.60 g/mol
• Exact Mass: 541.24
• IUPAC Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(OC[C@@H]4CCCN(C5COC5)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C29H33F2N3O5/c1-36-25-10-20(11-26(39-29(30)31)28(25)24(35)9-18-4-5-18)23-13-32-27-12-22(6-8-34(23)27)38-15-19-3-2-7-33(14-19)21-16-37-17-21/h6,8,10-13,18-19,21,29H,2-5,7,9,14-17H2,1H3/t19-/m1/s1
• InChIKey: NOACERRBHVTVPP-LJQANCHMSA-N
• XLogP: 5.08
• TPSA: 74.53 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.60
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167629249) is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is COc1cc(-c2cnc3cc(OC[C@@H]4CCCN(C5COC5)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

What is the InChIKey of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The InChIKey is NOACERRBHVTVPP-LJQANCHMSA-N. The full InChI is InChI=1S/C29H33F2N3O5/c1-36-25-10-20(11-26(39-29(30)31)28(25)24(35)9-18-4-5-18)23-13-32-27-12-22(6-8-34(23)27)38-15-19-3-2-7-33(14-19)21-16-37-17-21/h6,8,10-13,18-19,21,29H,2-5,7,9,14-17H2,1H3/t19-/m1/s1.

What are the key properties of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 541.60 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167629249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).