N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide

C17H18F3N5O — CID 90448044

IUPACN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)(CC(=O)Nc1nc2ccc(C#N)nc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C17H18F3N5O/c1-16(2,17(18,19)20)8-13(26)24-15-23-12-7-6-10(9-21)22-14(12)25(15)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,23,24,26)
InChIKeyZKEVOYKAPPHAJH-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.95
Rot. Bonds4

About N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide

N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide (PubChem CID 90448044) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
PubChem CID90448044
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)(CC(=O)Nc1nc2ccc(C#N)nc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C17H18F3N5O/c1-16(2,17(18,19)20)8-13(26)24-15-23-12-7-6-10(9-21)22-14(12)25(15)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,23,24,26)
InChIKeyZKEVOYKAPPHAJH-UHFFFAOYSA-N
XLogP3.95
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
The IUPAC name of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide (CID 90448044) is N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide.
What is the SMILES notation for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
The canonical SMILES for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide is CC(C)(CC(=O)Nc1nc2ccc(C#N)nc2n1C1CCC1)C(F)(F)F.
What is the InChIKey of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
The InChIKey is ZKEVOYKAPPHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-16(2,17(18,19)20)8-13(26)24-15-23-12-7-6-10(9-21)22-14(12)25(15)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,23,24,26).
What are the key properties of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide has a molecular weight of 365.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 90448044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).