2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline

C45H37F6N7O5 — CID 167565665

About 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline

2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline (PubChem CID 167565665) has the molecular formula C45H37F6N7O5 and a molecular weight of 869.82 g/mol. Its IUPAC name is 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline
• PubChem CID: 167565665
• Molecular Formula: C45H37F6N7O5
• Molecular Weight: 869.82 g/mol
• Exact Mass: 869.28
• IUPAC Name: 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline
• SMILES: Cc1ccc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.Cc1ccc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1
• InChI: InChI=1S/C23H18F3N3O2.C14H11N3O3.C8H8F3N/c1-15-5-6-16(11-19(15)23(24,25)26)10-18(30)14-31-22-8-7-17(12-28-22)20-13-27-21-4-2-3-9-29(20)21;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-9,11-13H,10,14H2,1H3;1-8H,9H2,(H,18,19);2-4H,12H2,1H3
• InChIKey: FGBGUOCXRYUZSP-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 159.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.82
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline?

The IUPAC name of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline (CID 167565665) is 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline.

What is the SMILES notation for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline?

The canonical SMILES for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline is Cc1ccc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.Cc1ccc(N)cc1C(F)(F)F.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1.

What is the InChIKey of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline?

The InChIKey is FGBGUOCXRYUZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2.C14H11N3O3.C8H8F3N/c1-15-5-6-16(11-19(15)23(24,25)26)10-18(30)14-31-22-8-7-17(12-28-22)20-13-27-21-4-2-3-9-29(20)21;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-5-2-3-6(12)4-7(5)8(9,10)11/h2-9,11-13H,10,14H2,1H3;1-8H,9H2,(H,18,19);2-4H,12H2,1H3.

What are the key properties of 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline?

2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 869.82 g/mol, XLogP of 9.37, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 167565665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).