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

C17H20ClF3N4O — CID 90447821

IUPACN-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C17H20ClF3N4O/c1-16(2,3)8-12(26)23-15-22-11-7-10(18)13(17(19,20)21)24-14(11)25(15)9-5-4-6-9/h7,9H,4-6,8H2,1-3H3,(H,22,23,26)
InChIKeyKJLZFSMXYJCGLH-UHFFFAOYSA-N
MW388.82 g/mol
LogP5.20
Rot. Bonds3

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

N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 90447821) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
PubChem CID90447821
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC NameN-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C17H20ClF3N4O/c1-16(2,3)8-12(26)23-15-22-11-7-10(18)13(17(19,20)21)24-14(11)25(15)9-5-4-6-9/h7,9H,4-6,8H2,1-3H3,(H,22,23,26)
InChIKeyKJLZFSMXYJCGLH-UHFFFAOYSA-N
XLogP5.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.82
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 90447821) is N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is KJLZFSMXYJCGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N4O/c1-16(2,3)8-12(26)23-15-22-11-7-10(18)13(17(19,20)21)24-14(11)25(15)9-5-4-6-9/h7,9H,4-6,8H2,1-3H3,(H,22,23,26).
What are the key properties of N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?
N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 388.82 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90447821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).