5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid

C26H24F3N5O3 — CID 118235870

About 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid

5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid (PubChem CID 118235870) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid
• PubChem CID: 118235870
• Molecular Formula: C26H24F3N5O3
• Molecular Weight: 511.50 g/mol
• Exact Mass: 511.18
• IUPAC Name: 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid
• SMILES: Cc1nc2cc(F)c(-c3cnc(C4CCC(C(=O)O)NC4)nc3)cn2c1Cc1ccccc1OC(F)F
• InChI: InChI=1S/C26H24F3N5O3/c1-14-21(8-15-4-2-3-5-22(15)37-26(28)29)34-13-18(19(27)9-23(34)33-14)17-11-31-24(32-12-17)16-6-7-20(25(35)36)30-10-16/h2-5,9,11-13,16,20,26,30H,6-8,10H2,1H3,(H,35,36)
• InChIKey: SRIDWJHKUGTAQO-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 101.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.50
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid?

The IUPAC name of 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid (CID 118235870) is 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid.

What is the SMILES notation for 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid?

The canonical SMILES for 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid is Cc1nc2cc(F)c(-c3cnc(C4CCC(C(=O)O)NC4)nc3)cn2c1Cc1ccccc1OC(F)F.

What is the InChIKey of 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid?

The InChIKey is SRIDWJHKUGTAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-14-21(8-15-4-2-3-5-22(15)37-26(28)29)34-13-18(19(27)9-23(34)33-14)17-11-31-24(32-12-17)16-6-7-20(25(35)36)30-10-16/h2-5,9,11-13,16,20,26,30H,6-8,10H2,1H3,(H,35,36).

What are the key properties of 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid?

5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid has a molecular weight of 511.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 118235870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).