2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide

C₂₈H₃₄F₂N₄O₅ — CID 155797821

About 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide

2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 155797821) has the molecular formula C₂₈H₃₄F₂N₄O₅ and a molecular weight of 544.60 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 155797821
• Molecular Formula: C₂₈H₃₄F₂N₄O₅
• Molecular Weight: 544.60 g/mol
• Exact Mass: 544.25
• IUPAC Name: 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: COc1cc(-c2cnc3cc(OCCCN4CCCCC4)ccn23)cc(OC(F)F)c1C(=O)N[C@@H]1CC[C@H]1O
• InChI: InChI=1S/C28H34F2N4O5/c1-37-23-14-18(15-24(39-28(29)30)26(23)27(36)32-20-6-7-22(20)35)21-17-31-25-16-19(8-12-34(21)25)38-13-5-11-33-9-3-2-4-10-33/h8,12,14-17,20,22,28,35H,2-7,9-11,13H2,1H3,(H,32,36)/t20-,22-/m1/s1
• InChIKey: XZYGECNKBLOXNX-IFMALSPDSA-N
• XLogP: 4.12
• TPSA: 97.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.60
LogP ≤ 5	4.12
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-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

The IUPAC name of 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 155797821) is 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

What is the SMILES notation for 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

The canonical SMILES for 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OCCCN4CCCCC4)ccn23)cc(OC(F)F)c1C(=O)N[C@@H]1CC[C@H]1O.

What is the InChIKey of 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

The InChIKey is XZYGECNKBLOXNX-IFMALSPDSA-N. The full InChI is InChI=1S/C28H34F2N4O5/c1-37-23-14-18(15-24(39-28(29)30)26(23)27(36)32-20-6-7-22(20)35)21-17-31-25-16-19(8-12-34(21)25)38-13-5-11-33-9-3-2-4-10-33/h8,12,14-17,20,22,28,35H,2-7,9-11,13H2,1H3,(H,32,36)/t20-,22-/m1/s1.

What are the key properties of 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 544.60 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 155797821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155797821 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.