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

C32H34F2N4O5 — CID 155797827

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

4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 155797827) has the molecular formula C32H34F2N4O5 and a molecular weight of 592.64 g/mol. Its IUPAC name is 4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

• Compound Name: 4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
• PubChem CID: 155797827
• Molecular Formula: C32H34F2N4O5
• Molecular Weight: 592.64 g/mol
• Exact Mass: 592.25
• IUPAC Name: 4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
• SMILES: COc1cc(-c2cnc3cc(OC[C@H]4CN(Cc5ccccc5)CC[C@@H]4O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
• InChI: InChI=1S/C32H34F2N4O5/c1-41-27-13-21(14-28(43-32(33)34)30(27)31(40)36-23-7-8-23)25-16-35-29-15-24(9-12-38(25)29)42-19-22-18-37(11-10-26(22)39)17-20-5-3-2-4-6-20/h2-6,9,12-16,22-23,26,32,39H,7-8,10-11,17-19H2,1H3,(H,36,40)/t22-,26+/m1/s1
• InChIKey: LFKWOBXNFMDUHN-GJZUVCINSA-N
• XLogP: 4.77
• TPSA: 97.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.64
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (CID 155797827) is 4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.

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

The canonical SMILES for 4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2cnc3cc(OC[C@H]4CN(Cc5ccccc5)CC[C@@H]4O)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.

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

The InChIKey is LFKWOBXNFMDUHN-GJZUVCINSA-N. The full InChI is InChI=1S/C32H34F2N4O5/c1-41-27-13-21(14-28(43-32(33)34)30(27)31(40)36-23-7-8-23)25-16-35-29-15-24(9-12-38(25)29)42-19-22-18-37(11-10-26(22)39)17-20-5-3-2-4-6-20/h2-6,9,12-16,22-23,26,32,39H,7-8,10-11,17-19H2,1H3,(H,36,40)/t22-,26+/m1/s1.

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

4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 592.64 g/mol, XLogP of 4.77, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 155797827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).