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

C26H30F2N4O4 — CID 146273484

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 146273484) has the molecular formula C26H30F2N4O4 and a molecular weight of 500.55 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 146273484
• Molecular Formula: C26H30F2N4O4
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.22
• IUPAC Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: COc1cc(-c2cnc3cc(OCCCN4CCCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
• InChI: InChI=1S/C26H30F2N4O4/c1-34-21-13-17(14-22(36-26(27)28)24(21)25(33)30-18-5-6-18)20-16-29-23-15-19(7-11-32(20)23)35-12-4-10-31-8-2-3-9-31/h7,11,13-16,18,26H,2-6,8-10,12H2,1H3,(H,30,33)
• InChIKey: FWYCNMPMDKPSID-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 146273484) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

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

The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OCCCN4CCCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.

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

The InChIKey is FWYCNMPMDKPSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O4/c1-34-21-13-17(14-22(36-26(27)28)24(21)25(33)30-18-5-6-18)20-16-29-23-15-19(7-11-32(20)23)35-12-4-10-31-8-2-3-9-31/h7,11,13-16,18,26H,2-6,8-10,12H2,1H3,(H,30,33).

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 500.55 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 146273484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).