N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide

C16H13F9N4O — CID 86290828

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C16H13F9N4O/c17-14(18,19)9(15(20,21)22)6-11(30)28-13-26-8-4-5-10(16(23,24)25)27-12(8)29(13)7-2-1-3-7/h4-5,7,9H,1-3,6H2,(H,26,28,30)
InChIKeyGGWRFRXKQOGIDX-UHFFFAOYSA-N
MW448.29 g/mol
LogP5.24
Rot. Bonds4

About N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide (PubChem CID 86290828) has the molecular formula C16H13F9N4O and a molecular weight of 448.29 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
PubChem CID86290828
Molecular FormulaC16H13F9N4O
Molecular Weight448.29 g/mol
Exact Mass448.09
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide
SMILESO=C(CC(C(F)(F)F)C(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C16H13F9N4O/c17-14(18,19)9(15(20,21)22)6-11(30)28-13-26-8-4-5-10(16(23,24)25)27-12(8)29(13)7-2-1-3-7/h4-5,7,9H,1-3,6H2,(H,26,28,30)
InChIKeyGGWRFRXKQOGIDX-UHFFFAOYSA-N
XLogP5.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.29
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide (CID 86290828) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide is O=C(CC(C(F)(F)F)C(F)(F)F)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
The InChIKey is GGWRFRXKQOGIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F9N4O/c17-14(18,19)9(15(20,21)22)6-11(30)28-13-26-8-4-5-10(16(23,24)25)27-12(8)29(13)7-2-1-3-7/h4-5,7,9H,1-3,6H2,(H,26,28,30).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide has a molecular weight of 448.29 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butanamide is sourced from PubChem (CID 86290828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).