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

C19H23F3N4O — CID 86290304

IUPACN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-10-9-14-17(24-15)26(13-6-3-7-13)18(23-14)25-16(27)11-8-12-4-1-2-5-12/h9-10,12-13H,1-8,11H2,(H,23,25,27)
InChIKeyVVADTVWNWVTAKZ-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.08
Rot. Bonds5

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

N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide (PubChem CID 86290304) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide
PubChem CID86290304
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC NameN-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C19H23F3N4O/c20-19(21,22)15-10-9-14-17(24-15)26(13-6-3-7-13)18(23-14)25-16(27)11-8-12-4-1-2-5-12/h9-10,12-13H,1-8,11H2,(H,23,25,27)
InChIKeyVVADTVWNWVTAKZ-UHFFFAOYSA-N
XLogP5.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.08
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]-3-cyclopentylpropanamide?
The IUPAC name of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide (CID 86290304) is N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide?
The InChIKey is VVADTVWNWVTAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c20-19(21,22)15-10-9-14-17(24-15)26(13-6-3-7-13)18(23-14)25-16(27)11-8-12-4-1-2-5-12/h9-10,12-13H,1-8,11H2,(H,23,25,27).
What are the key properties of N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide?
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopentylpropanamide has a molecular weight of 380.41 g/mol, XLogP of 5.08, 5 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]-3-cyclopentylpropanamide is sourced from PubChem (CID 86290304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).