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

C28H30F2N4O4 — CID 146275396

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 146275396) has the molecular formula C28H30F2N4O4 and a molecular weight of 524.57 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 146275396
• Molecular Formula: C28H30F2N4O4
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.22
• IUPAC Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: C#CCN1CCCCC1COc1ccn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1
• InChI: InChI=1S/C28H30F2N4O4/c1-3-10-33-11-5-4-6-20(33)17-37-21-9-12-34-22(16-31-25(34)15-21)18-13-23(36-2)26(24(14-18)38-28(29)30)27(35)32-19-7-8-19/h1,9,12-16,19-20,28H,4-8,10-11,17H2,2H3,(H,32,35)
• InChIKey: KTDFGIAPWGMXHK-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 146275396) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.

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

The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is C#CCN1CCCCC1COc1ccn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1.

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

The InChIKey is KTDFGIAPWGMXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O4/c1-3-10-33-11-5-4-6-20(33)17-37-21-9-12-34-22(16-31-25(34)15-21)18-13-23(36-2)26(24(14-18)38-28(29)30)27(35)32-19-7-8-19/h1,9,12-16,19-20,28H,4-8,10-11,17H2,2H3,(H,32,35).

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 524.57 g/mol, XLogP of 4.37, 10 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-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 146275396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).