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

C25H26F4N4O4 — CID 146273517

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

N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide (PubChem CID 146273517) has the molecular formula C25H26F4N4O4 and a molecular weight of 522.50 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
• PubChem CID: 146273517
• Molecular Formula: C25H26F4N4O4
• Molecular Weight: 522.50 g/mol
• Exact Mass: 522.19
• IUPAC Name: N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
• SMILES: COc1cc(-c2cnc3cc(OC[C@@H]4CC(F)(F)CN4C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
• InChI: InChI=1S/C25H26F4N4O4/c1-32-13-25(28,29)10-16(32)12-36-17-5-6-33-18(11-30-21(33)9-17)14-7-19(35-2)22(20(8-14)37-24(26)27)23(34)31-15-3-4-15/h5-9,11,15-16,24H,3-4,10,12-13H2,1-2H3,(H,31,34)/t16-/m0/s1
• InChIKey: GXJQPUKAGXGZCL-INIZCTEOSA-N
• XLogP: 4.22
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.50
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide (CID 146273517) is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide.

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

The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide is COc1cc(-c2cnc3cc(OC[C@@H]4CC(F)(F)CN4C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.

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

The InChIKey is GXJQPUKAGXGZCL-INIZCTEOSA-N. The full InChI is InChI=1S/C25H26F4N4O4/c1-32-13-25(28,29)10-16(32)12-36-17-5-6-33-18(11-30-21(33)9-17)14-7-19(35-2)22(20(8-14)37-24(26)27)23(34)31-15-3-4-15/h5-9,11,15-16,24H,3-4,10,12-13H2,1-2H3,(H,31,34)/t16-/m0/s1.

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

N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide has a molecular weight of 522.50 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 146273517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).