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

C19H16F4N4O — CID 86290260

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C19H16F4N4O/c20-12-6-4-11(5-7-12)10-16(28)26-18-24-14-8-9-15(19(21,22)23)25-17(14)27(18)13-2-1-3-13/h4-9,13H,1-3,10H2,(H,24,26,28)
InChIKeyPZTVLOPJZNTEJW-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.50
Rot. Bonds4

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

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 86290260) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID86290260
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C19H16F4N4O/c20-12-6-4-11(5-7-12)10-16(28)26-18-24-14-8-9-15(19(21,22)23)25-17(14)27(18)13-2-1-3-13/h4-9,13H,1-3,10H2,(H,24,26,28)
InChIKeyPZTVLOPJZNTEJW-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.50
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]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (CID 86290260) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PZTVLOPJZNTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c20-12-6-4-11(5-7-12)10-16(28)26-18-24-14-8-9-15(19(21,22)23)25-17(14)27(18)13-2-1-3-13/h4-9,13H,1-3,10H2,(H,24,26,28).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 392.36 g/mol, XLogP of 4.50, 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]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 86290260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).