5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide

C31H23F6N3O3 — CID 146341478

IUPAC5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESCOCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F
InChIInChI=1S/C31H23F6N3O3/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20/h2-13,16H,14-15,17H2,1H3,(H,38,41)
InChIKeyXYAWLRJLLLMECQ-UHFFFAOYSA-N
MW599.53 g/mol
LogP7.52
Rot. Bonds9

About 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide

5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide (PubChem CID 146341478) has the molecular formula C31H23F6N3O3 and a molecular weight of 599.53 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
PubChem CID146341478
Molecular FormulaC31H23F6N3O3
Molecular Weight599.53 g/mol
Exact Mass599.16
IUPAC Name5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESCOCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F
InChIInChI=1S/C31H23F6N3O3/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20/h2-13,16H,14-15,17H2,1H3,(H,38,41)
InChIKeyXYAWLRJLLLMECQ-UHFFFAOYSA-N
XLogP7.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.53
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide (CID 146341478) is 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide is COCCOCc1nc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn2c1-c1cccc(F)c1F.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is XYAWLRJLLLMECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F6N3O3/c1-42-14-15-43-17-26-28(22-4-2-6-25(33)27(22)34)40-13-3-5-21(29(40)39-26)18-7-12-24(31(35,36)37)23(16-18)30(41)38-20-10-8-19(32)9-11-20/h2-13,16H,14-15,17H2,1H3,(H,38,41).
What are the key properties of 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide?
5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 599.53 g/mol, XLogP of 7.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146341478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).