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

C25H21F4N3O3 — CID 146341537

IUPACN-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCOCCOCc1cn2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)c2n1
InChIInChI=1S/C25H21F4N3O3/c1-34-11-12-35-15-19-14-32-10-2-3-20(23(32)30-19)16-4-9-22(25(27,28)29)21(13-16)24(33)31-18-7-5-17(26)6-8-18/h2-10,13-14H,11-12,15H2,1H3,(H,31,33)
InChIKeyDIDWGRICARHFDI-UHFFFAOYSA-N
MW487.45 g/mol
LogP5.57
Rot. Bonds8

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

N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 146341537) has the molecular formula C25H21F4N3O3 and a molecular weight of 487.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID146341537
Molecular FormulaC25H21F4N3O3
Molecular Weight487.45 g/mol
Exact Mass487.15
IUPAC NameN-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCOCCOCc1cn2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)c2n1
InChIInChI=1S/C25H21F4N3O3/c1-34-11-12-35-15-19-14-32-10-2-3-20(23(32)30-19)16-4-9-22(25(27,28)29)21(13-16)24(33)31-18-7-5-17(26)6-8-18/h2-10,13-14H,11-12,15H2,1H3,(H,31,33)
InChIKeyDIDWGRICARHFDI-UHFFFAOYSA-N
XLogP5.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.45
LogP ≤ 55.57
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 N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 146341537) is N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is COCCOCc1cn2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)c2n1.
What is the InChIKey of N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is DIDWGRICARHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O3/c1-34-11-12-35-15-19-14-32-10-2-3-20(23(32)30-19)16-4-9-22(25(27,28)29)21(13-16)24(33)31-18-7-5-17(26)6-8-18/h2-10,13-14H,11-12,15H2,1H3,(H,31,33).
What are the key properties of N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 487.45 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146341537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).