3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid

C28H24F3N3O3 — CID 140680535

About 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid

3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 140680535) has the molecular formula C28H24F3N3O3 and a molecular weight of 507.51 g/mol. Its IUPAC name is 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid
• PubChem CID: 140680535
• Molecular Formula: C28H24F3N3O3
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.18
• IUPAC Name: 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid
• SMILES: Cc1nc2cc(F)c(-c3ccc(C4CC5C(C4)C5C(=O)O)nc3)cn2c1Cc1ccccc1OC(F)F
• InChI: InChI=1S/C28H24F3N3O3/c1-14-23(10-15-4-2-3-5-24(15)37-28(30)31)34-13-20(21(29)11-25(34)33-14)16-6-7-22(32-12-16)17-8-18-19(9-17)26(18)27(35)36/h2-7,11-13,17-19,26,28H,8-10H2,1H3,(H,35,36)
• InChIKey: XFXNNMCCCZPZFM-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?

The IUPAC name of 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid (CID 140680535) is 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid.

What is the SMILES notation for 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?

The canonical SMILES for 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid is Cc1nc2cc(F)c(-c3ccc(C4CC5C(C4)C5C(=O)O)nc3)cn2c1Cc1ccccc1OC(F)F.

What is the InChIKey of 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?

The InChIKey is XFXNNMCCCZPZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O3/c1-14-23(10-15-4-2-3-5-24(15)37-28(30)31)34-13-20(21(29)11-25(34)33-14)16-6-7-22(32-12-16)17-8-18-19(9-17)26(18)27(35)36/h2-7,11-13,17-19,26,28H,8-10H2,1H3,(H,35,36).

What are the key properties of 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid?

3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 507.51 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 140680535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).