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

C21H20ClF3N4O2 — CID 130361328

IUPAC3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClF3N4O2/c1-20(31,12-4-2-5-13(22)10-12)11-17(30)28-19-26-15-8-9-16(21(23,24)25)27-18(15)29(19)14-6-3-7-14/h2,4-5,8-10,14,31H,3,6-7,11H2,1H3,(H,26,28,30)
InChIKeyKZBQRTFJLHPUEA-UHFFFAOYSA-N
MW452.86 g/mol
LogP5.06
Rot. Bonds5

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

3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide (PubChem CID 130361328) has the molecular formula C21H20ClF3N4O2 and a molecular weight of 452.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
PubChem CID130361328
Molecular FormulaC21H20ClF3N4O2
Molecular Weight452.86 g/mol
Exact Mass452.12
IUPAC Name3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClF3N4O2/c1-20(31,12-4-2-5-13(22)10-12)11-17(30)28-19-26-15-8-9-16(21(23,24)25)27-18(15)29(19)14-6-3-7-14/h2,4-5,8-10,14,31H,3,6-7,11H2,1H3,(H,26,28,30)
InChIKeyKZBQRTFJLHPUEA-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-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide (CID 130361328) is 3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide is CC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
The InChIKey is KZBQRTFJLHPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O2/c1-20(31,12-4-2-5-13(22)10-12)11-17(30)28-19-26-15-8-9-16(21(23,24)25)27-18(15)29(19)14-6-3-7-14/h2,4-5,8-10,14,31H,3,6-7,11H2,1H3,(H,26,28,30).
What are the key properties of 3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide?
3-(3-chlorophenyl)-N-[3-cyclobutyl-5-(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-(3-chlorophenyl)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide is sourced from PubChem (CID 130361328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).