N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen

C23H24F4N4O5 — CID 167590110

About N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen

N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen (PubChem CID 167590110) has the molecular formula C23H24F4N4O5 and a molecular weight of 512.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen
• PubChem CID: 167590110
• Molecular Formula: C23H24F4N4O5
• Molecular Weight: 512.46 g/mol
• Exact Mass: 512.17
• IUPAC Name: N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen
• SMILES: COc1cc(-c2cnc3cc(OCCNC(=O)C(F)F)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.[H][H]
• InChI: InChI=1S/C23H22F4N4O5.H2/c1-34-16-8-12(9-17(36-23(26)27)19(16)21(32)30-13-2-3-13)15-11-29-18-10-14(4-6-31(15)18)35-7-5-28-22(33)20(24)25;/h4,6,8-11,13,20,23H,2-3,5,7H2,1H3,(H,28,33)(H,30,32);1H
• InChIKey: IIAPBCUPOJWTJL-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.46
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
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-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen?

The IUPAC name of N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen (CID 167590110) is N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen.

What is the SMILES notation for N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen?

The canonical SMILES for N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen is COc1cc(-c2cnc3cc(OCCNC(=O)C(F)F)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.[H][H].

What is the InChIKey of N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen?

The InChIKey is IIAPBCUPOJWTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O5.H2/c1-34-16-8-12(9-17(36-23(26)27)19(16)21(32)30-13-2-3-13)15-11-29-18-10-14(4-6-31(15)18)35-7-5-28-22(33)20(24)25;/h4,6,8-11,13,20,23H,2-3,5,7H2,1H3,(H,28,33)(H,30,32);1H.

What are the key properties of N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen?

N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen has a molecular weight of 512.46 g/mol, XLogP of 3.51, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen is sourced from PubChem (CID 167590110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).