methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid

C51H40F12N6O8 — CID 157447816

About methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid

methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid (PubChem CID 157447816) has the molecular formula C51H40F12N6O8 and a molecular weight of 1092.89 g/mol. Its IUPAC name is methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid.

Molecular Properties

• Compound Name: methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
• PubChem CID: 157447816
• Molecular Formula: C51H40F12N6O8
• Molecular Weight: 1092.89 g/mol
• Exact Mass: 1092.27
• IUPAC Name: methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
• SMILES: COC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)cc4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)cc4)cn23)ccc1C(=O)O
• InChI: InChI=1S/C26H21F6N3O4.C25H19F6N3O4/c1-15-11-16(3-8-20(15)24(36)37-2)22-13-34-23-21(33-10-9-25(27,28)29)12-19(14-35(22)23)38-17-4-6-18(7-5-17)39-26(30,31)32;1-14-10-15(2-7-19(14)23(35)36)21-12-33-22-20(32-9-8-24(26,27)28)11-18(13-34(21)22)37-16-3-5-17(6-4-16)38-25(29,30)31/h3-8,11-14,33H,9-10H2,1-2H3;2-7,10-13,32H,8-9H2,1H3,(H,35,36)
• InChIKey: BSKYYTWXFQRQHK-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 159.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1092.89
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

The IUPAC name of methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid (CID 157447816) is methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid.

What is the SMILES notation for methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

The canonical SMILES for methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid is COC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)cc4)cn23)cc1C.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)cc4)cn23)ccc1C(=O)O.

What is the InChIKey of methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

The InChIKey is BSKYYTWXFQRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N3O4.C25H19F6N3O4/c1-15-11-16(3-8-20(15)24(36)37-2)22-13-34-23-21(33-10-9-25(27,28)29)12-19(14-35(22)23)38-17-4-6-18(7-5-17)39-26(30,31)32;1-14-10-15(2-7-19(14)23(35)36)21-12-33-22-20(32-9-8-24(26,27)28)11-18(13-34(21)22)37-16-3-5-17(6-4-16)38-25(29,30)31/h3-8,11-14,33H,9-10H2,1-2H3;2-7,10-13,32H,8-9H2,1H3,(H,35,36).

What are the key properties of methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid?

methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid has a molecular weight of 1092.89 g/mol, XLogP of 14.21, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoate;2-methyl-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 157447816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).