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

C22H21F2N3O4 — CID 155727400

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 155727400) has the molecular formula C22H21F2N3O4 and a molecular weight of 429.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 155727400
• Molecular Formula: C22H21F2N3O4
• Molecular Weight: 429.42 g/mol
• Exact Mass: 429.15
• IUPAC Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: COc1cc(-c2cnc3cc(C4COC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
• InChI: InChI=1S/C22H21F2N3O4/c1-29-17-6-13(7-18(31-22(23)24)20(17)21(28)26-15-2-3-15)16-9-25-19-8-12(4-5-27(16)19)14-10-30-11-14/h4-9,14-15,22H,2-3,10-11H2,1H3,(H,26,28)
• InChIKey: MZHDEVQOFYXHGJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.42
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 155727400) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

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

The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(C4COC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.

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

The InChIKey is MZHDEVQOFYXHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O4/c1-29-17-6-13(7-18(31-22(23)24)20(17)21(28)26-15-2-3-15)16-9-25-19-8-12(4-5-27(16)19)14-10-30-11-14/h4-9,14-15,22H,2-3,10-11H2,1H3,(H,26,28).

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 429.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 155727400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).