4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid

C28H23F3N2O4 — CID 67965886

About 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid

4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid (PubChem CID 67965886) has the molecular formula C28H23F3N2O4 and a molecular weight of 508.50 g/mol. Its IUPAC name is 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
• PubChem CID: 67965886
• Molecular Formula: C28H23F3N2O4
• Molecular Weight: 508.50 g/mol
• Exact Mass: 508.16
• IUPAC Name: 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
• SMILES: COc1ccn2c(-c3cccc(COc4ccc5c(c4)CC4C(C(=O)O)C54)c3C)c(C(F)(F)F)nc2c1
• InChI: InChI=1S/C28H23F3N2O4/c1-14-15(13-37-18-6-7-20-16(10-18)11-21-23(20)24(21)27(34)35)4-3-5-19(14)25-26(28(29,30)31)32-22-12-17(36-2)8-9-33(22)25/h3-10,12,21,23-24H,11,13H2,1-2H3,(H,34,35)
• InChIKey: KKLHRCRHZDCVTD-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?

The IUPAC name of 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid (CID 67965886) is 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid.

What is the SMILES notation for 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?

The canonical SMILES for 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid is COc1ccn2c(-c3cccc(COc4ccc5c(c4)CC4C(C(=O)O)C54)c3C)c(C(F)(F)F)nc2c1.

What is the InChIKey of 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?

The InChIKey is KKLHRCRHZDCVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N2O4/c1-14-15(13-37-18-6-7-20-16(10-18)11-21-23(20)24(21)27(34)35)4-3-5-19(14)25-26(28(29,30)31)32-22-12-17(36-2)8-9-33(22)25/h3-10,12,21,23-24H,11,13H2,1-2H3,(H,34,35).

What are the key properties of 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid?

4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid has a molecular weight of 508.50 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid is sourced from PubChem (CID 67965886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).