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

C18H21F3N4O — CID 90447899

IUPAC3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCC1CCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)14-9-8-13-16(23-14)25(12-5-2-6-12)17(22-13)24-15(26)10-7-11-3-1-4-11/h8-9,11-12H,1-7,10H2,(H,22,24,26)
InChIKeyVIQGAHOAUMKKRY-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.69
Rot. Bonds5

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

3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 90447899) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID90447899
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCC1CCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)14-9-8-13-16(23-14)25(12-5-2-6-12)17(22-13)24-15(26)10-7-11-3-1-4-11/h8-9,11-12H,1-7,10H2,(H,22,24,26)
InChIKeyVIQGAHOAUMKKRY-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 90447899) is 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCC1CCC1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is VIQGAHOAUMKKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)14-9-8-13-16(23-14)25(12-5-2-6-12)17(22-13)24-15(26)10-7-11-3-1-4-11/h8-9,11-12H,1-7,10H2,(H,22,24,26).
What are the key properties of 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 366.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 90447899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).