3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide

C21H20ClF3N4O2 — CID 139504921

IUPAC3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
SMILESCC(O)(CC(=O)Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClF3N4O2/c1-20(31,12-5-7-14(22)8-6-12)10-17(30)28-19-27-16-9-13(21(23,24)25)11-26-18(16)29(19)15-3-2-4-15/h5-9,11,15,31H,2-4,10H2,1H3,(H,27,28,30)
InChIKeyDUPDICVDTORDKK-UHFFFAOYSA-N
MW452.86 g/mol
LogP5.06
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide

3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide (PubChem CID 139504921) has the molecular formula C21H20ClF3N4O2 and a molecular weight of 452.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
PubChem CID139504921
Molecular FormulaC21H20ClF3N4O2
Molecular Weight452.86 g/mol
Exact Mass452.12
IUPAC Name3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
SMILESCC(O)(CC(=O)Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClF3N4O2/c1-20(31,12-5-7-14(22)8-6-12)10-17(30)28-19-27-16-9-13(21(23,24)25)11-26-18(16)29(19)15-3-2-4-15/h5-9,11,15,31H,2-4,10H2,1H3,(H,27,28,30)
InChIKeyDUPDICVDTORDKK-UHFFFAOYSA-N
XLogP5.06
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.86
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide (CID 139504921) is 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide is CC(O)(CC(=O)Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
The InChIKey is DUPDICVDTORDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O2/c1-20(31,12-5-7-14(22)8-6-12)10-17(30)28-19-27-16-9-13(21(23,24)25)11-26-18(16)29(19)15-3-2-4-15/h5-9,11,15,31H,2-4,10H2,1H3,(H,27,28,30).
What are the key properties of 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide has a molecular weight of 452.86 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide is sourced from PubChem (CID 139504921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).