N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C16H19F3N4O — CID 90447843

IUPACN-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESC=Cc1ccc2nc(NC(=O)CC(C)(C)C)n(CC(F)(F)F)c2n1
InChIInChI=1S/C16H19F3N4O/c1-5-10-6-7-11-13(20-10)23(9-16(17,18)19)14(21-11)22-12(24)8-15(2,3)4/h5-7H,1,8-9H2,2-4H3,(H,21,22,24)
InChIKeyVUELGJUIPMDHNR-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.01
Rot. Bonds4

About N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 90447843) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID90447843
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESC=Cc1ccc2nc(NC(=O)CC(C)(C)C)n(CC(F)(F)F)c2n1
InChIInChI=1S/C16H19F3N4O/c1-5-10-6-7-11-13(20-10)23(9-16(17,18)19)14(21-11)22-12(24)8-15(2,3)4/h5-7H,1,8-9H2,2-4H3,(H,21,22,24)
InChIKeyVUELGJUIPMDHNR-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90447811
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-methoxy-3-methylbutanamide;N-(5-chloro-3-propylimidazo[4,5-b]pyridin-2-yl)-3-methoxy-3-methylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;3,3-dimethyl-N-(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butanamide;N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-ethyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 159339749
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90448043
3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130359669
N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118692485
3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide
CID 137393661
N-[3-(2,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 130359706
3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 118697321
N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 130361770
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468
N-[3-(cyclobutadienyl)-5-ethynylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 118692640

Frequently Asked Questions

What is the IUPAC name of N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 90447843) is N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is C=Cc1ccc2nc(NC(=O)CC(C)(C)C)n(CC(F)(F)F)c2n1.
What is the InChIKey of N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is VUELGJUIPMDHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-5-10-6-7-11-13(20-10)23(9-16(17,18)19)14(21-11)22-12(24)8-15(2,3)4/h5-7H,1,8-9H2,2-4H3,(H,21,22,24).
What are the key properties of N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 340.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethenyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90447843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).