N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

C19H15ClF6N4O3 — CID 130361608

IUPACN-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H15ClF6N4O3/c1-17(2,32)8-14(31)29-16-27-11-4-6-13(18(21,22)23)28-15(11)30(16)9-3-5-12(10(20)7-9)33-19(24,25)26/h3-7,32H,8H2,1-2H3,(H,27,29,31)
InChIKeyRJKZIBMDLGLIKV-UHFFFAOYSA-N
MW496.80 g/mol
LogP5.09
Rot. Bonds5

About N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 130361608) has the molecular formula C19H15ClF6N4O3 and a molecular weight of 496.80 g/mol. Its IUPAC name is N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID130361608
Molecular FormulaC19H15ClF6N4O3
Molecular Weight496.80 g/mol
Exact Mass496.07
IUPAC NameN-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H15ClF6N4O3/c1-17(2,32)8-14(31)29-16-27-11-4-6-13(18(21,22)23)28-15(11)30(16)9-3-5-12(10(20)7-9)33-19(24,25)26/h3-7,32H,8H2,1-2H3,(H,27,29,31)
InChIKeyRJKZIBMDLGLIKV-UHFFFAOYSA-N
XLogP5.09
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.80
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (CID 130361608) is N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is RJKZIBMDLGLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF6N4O3/c1-17(2,32)8-14(31)29-16-27-11-4-6-13(18(21,22)23)28-15(11)30(16)9-3-5-12(10(20)7-9)33-19(24,25)26/h3-7,32H,8H2,1-2H3,(H,27,29,31).
What are the key properties of N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 496.80 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 130361608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).