N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide

C22H24F3N3O — CID 42694186

IUPACN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide
SMILESCCCCCCCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12
InChIInChI=1S/C22H24F3N3O/c1-2-3-4-5-6-10-19(29)27-21-20(26-18-9-7-8-15-28(18)21)16-11-13-17(14-12-16)22(23,24)25/h7-9,11-15H,2-6,10H2,1H3,(H,27,29)
InChIKeyYRQLZIPUBMWTBF-UHFFFAOYSA-N
MW403.45 g/mol
LogP6.32
Rot. Bonds8

About N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide

N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide (PubChem CID 42694186) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide
PubChem CID42694186
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide
SMILESCCCCCCCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12
InChIInChI=1S/C22H24F3N3O/c1-2-3-4-5-6-10-19(29)27-21-20(26-18-9-7-8-15-28(18)21)16-11-13-17(14-12-16)22(23,24)25/h7-9,11-15H,2-6,10H2,1H3,(H,27,29)
InChIKeyYRQLZIPUBMWTBF-UHFFFAOYSA-N
XLogP6.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42694061
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
2-(4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694212
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 42693739
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207
3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694201
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42694204
3-cyclopentyl-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42694053
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050
4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid
CID 23735799

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide (CID 42694186) is N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide is CCCCCCCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide?
The InChIKey is YRQLZIPUBMWTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-2-3-4-5-6-10-19(29)27-21-20(26-18-9-7-8-15-28(18)21)16-11-13-17(14-12-16)22(23,24)25/h7-9,11-15H,2-6,10H2,1H3,(H,27,29).
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide?
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide has a molecular weight of 403.45 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide is sourced from PubChem (CID 42694186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).