N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide

C27H30F2N4O4 — CID 155340030

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

N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 155340030) has the molecular formula C27H30F2N4O4 and a molecular weight of 512.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide
• PubChem CID: 155340030
• Molecular Formula: C27H30F2N4O4
• Molecular Weight: 512.56 g/mol
• Exact Mass: 512.22
• IUPAC Name: N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide
• SMILES: CCN(CC)C(=O)C1(c2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)CC1
• InChI: InChI=1S/C27H30F2N4O4/c1-4-32(5-2)25(35)27(9-10-27)17-8-11-33-19(15-30-22(33)14-17)16-12-20(36-3)23(21(13-16)37-26(28)29)24(34)31-18-6-7-18/h8,11-15,18,26H,4-7,9-10H2,1-3H3,(H,31,34)
• InChIKey: YLKMRPKCVSPASD-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.56
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide (CID 155340030) is N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide.

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

The canonical SMILES for N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide is CCN(CC)C(=O)C1(c2ccn3c(-c4cc(OC)c(C(=O)NC5CC5)c(OC(F)F)c4)cnc3c2)CC1.

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

The InChIKey is YLKMRPKCVSPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O4/c1-4-32(5-2)25(35)27(9-10-27)17-8-11-33-19(15-30-22(33)14-17)16-12-20(36-3)23(21(13-16)37-26(28)29)24(34)31-18-6-7-18/h8,11-15,18,26H,4-7,9-10H2,1-3H3,(H,31,34).

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

N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 512.56 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[7-[1-(diethylcarbamoyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 155340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).