4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide

C17H15F2N3O — CID 134387910

IUPAC4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C)c(F)c1
InChIInChI=1S/C17H15F2N3O/c1-9-4-5-22-10(2)16(21-14(22)6-9)15-12(18)7-11(8-13(15)19)17(23)20-3/h4-8H,1-3H3,(H,20,23)
InChIKeyTVSMOAQEYGSGGZ-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.26
Rot. Bonds2

About 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide

4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide (PubChem CID 134387910) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide
PubChem CID134387910
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C)c(F)c1
InChIInChI=1S/C17H15F2N3O/c1-9-4-5-22-10(2)16(21-14(22)6-9)15-12(18)7-11(8-13(15)19)17(23)20-3/h4-8H,1-3H3,(H,20,23)
InChIKeyTVSMOAQEYGSGGZ-UHFFFAOYSA-N
XLogP3.26
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide?
The IUPAC name of 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide (CID 134387910) is 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide?
The canonical SMILES for 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide is CNC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2C)c(F)c1.
What is the InChIKey of 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide?
The InChIKey is TVSMOAQEYGSGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-9-4-5-22-10(2)16(21-14(22)6-9)15-12(18)7-11(8-13(15)19)17(23)20-3/h4-8H,1-3H3,(H,20,23).
What are the key properties of 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide?
4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide has a molecular weight of 315.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 134387910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).