N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide

C29H33F2N5O6 — CID 146273378

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 146273378) has the molecular formula C29H33F2N5O6 and a molecular weight of 585.61 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 146273378
• Molecular Formula: C29H33F2N5O6
• Molecular Weight: 585.61 g/mol
• Exact Mass: 585.24
• IUPAC Name: N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: COc1cc(-c2cnc3cc(OCCCN4CCC5(CC4)CNC(=O)O5)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
• InChI: InChI=1S/C29H33F2N5O6/c1-39-22-13-18(14-23(41-27(30)31)25(22)26(37)34-19-3-4-19)21-16-32-24-15-20(5-9-36(21)24)40-12-2-8-35-10-6-29(7-11-35)17-33-28(38)42-29/h5,9,13-16,19,27H,2-4,6-8,10-12,17H2,1H3,(H,33,38)(H,34,37)
• InChIKey: IOOVMRHGWXIOQQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 115.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.61
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 146273378) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OCCCN4CCC5(CC4)CNC(=O)O5)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

The InChIKey is IOOVMRHGWXIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N5O6/c1-39-22-13-18(14-23(41-27(30)31)25(22)26(37)34-19-3-4-19)21-16-32-24-15-20(5-9-36(21)24)40-12-2-8-35-10-6-29(7-11-35)17-33-28(38)42-29/h5,9,13-16,19,27H,2-4,6-8,10-12,17H2,1H3,(H,33,38)(H,34,37).

What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 585.61 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[3-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 146273378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).