4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

C18H13F7N4O2 — CID 130361336

IUPAC4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C18H13F7N4O2/c1-16(31,18(23,24)25)8-13(30)28-15-26-11-6-7-12(17(20,21)22)27-14(11)29(15)10-4-2-9(19)3-5-10/h2-7,31H,8H2,1H3,(H,26,28,30)
InChIKeyBOOLAYUJFNVBHV-UHFFFAOYSA-N
MW450.31 g/mol
LogP4.22
Rot. Bonds4

About 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 130361336) has the molecular formula C18H13F7N4O2 and a molecular weight of 450.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID130361336
Molecular FormulaC18H13F7N4O2
Molecular Weight450.31 g/mol
Exact Mass450.09
IUPAC Name4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C18H13F7N4O2/c1-16(31,18(23,24)25)8-13(30)28-15-26-11-6-7-12(17(20,21)22)27-14(11)29(15)10-4-2-9(19)3-5-10/h2-7,31H,8H2,1H3,(H,26,28,30)
InChIKeyBOOLAYUJFNVBHV-UHFFFAOYSA-N
XLogP4.22
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90448043
(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide
CID 130361396
N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361608
(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 137393658
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
CID 130361366
3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4-dimethylpentanamide
CID 118692455
3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide
CID 130361213
N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclopropyl-3-hydroxy-6-[4-[2-[(3-hydroxy-3-methylbutanoyl)amino]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]-6-methylheptanamide
CID 137393202
N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 130361770

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (CID 130361336) is 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is CC(O)(CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1-c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is BOOLAYUJFNVBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F7N4O2/c1-16(31,18(23,24)25)8-13(30)28-15-26-11-6-7-12(17(20,21)22)27-14(11)29(15)10-4-2-9(19)3-5-10/h2-7,31H,8H2,1H3,(H,26,28,30).
What are the key properties of 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 450.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 130361336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).