(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide

C19H27F3N4O2 — CID 130361396

IUPAC(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide
SMILESCC(C)(C)n1c(NC(=O)C[C@](C)(O)C(C)(C)C)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H27F3N4O2/c1-16(2,3)18(7,28)10-13(27)25-15-23-11-8-9-12(19(20,21)22)24-14(11)26(15)17(4,5)6/h8-9,28H,10H2,1-7H3,(H,23,25,27)/t18-/m0/s1
InChIKeyLVSCAUNCQBEOKA-SFHVURJKSA-N
MW400.45 g/mol
LogP4.33
Rot. Bonds3

About (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide

(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide (PubChem CID 130361396) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide.

Molecular Properties

Compound Name(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide
PubChem CID130361396
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC Name(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide
SMILESCC(C)(C)n1c(NC(=O)C[C@](C)(O)C(C)(C)C)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H27F3N4O2/c1-16(2,3)18(7,28)10-13(27)25-15-23-11-8-9-12(19(20,21)22)24-14(11)26(15)17(4,5)6/h8-9,28H,10H2,1-7H3,(H,23,25,27)/t18-/m0/s1
InChIKeyLVSCAUNCQBEOKA-SFHVURJKSA-N
XLogP4.33
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 130361770
3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide
CID 130361213
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361336
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
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-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 130361408
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 130361339
3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide
CID 137393661
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130361425
(3R)-N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;methane
CID 158425795
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4-dimethylpentanamide
CID 118692455
N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361608

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide?
The IUPAC name of (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide (CID 130361396) is (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide.
What is the SMILES notation for (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide?
The canonical SMILES for (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide is CC(C)(C)n1c(NC(=O)C[C@](C)(O)C(C)(C)C)nc2ccc(C(F)(F)F)nc21.
What is the InChIKey of (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide?
The InChIKey is LVSCAUNCQBEOKA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-16(2,3)18(7,28)10-13(27)25-15-23-11-8-9-12(19(20,21)22)24-14(11)26(15)17(4,5)6/h8-9,28H,10H2,1-7H3,(H,23,25,27)/t18-/m0/s1.
What are the key properties of (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide?
(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide has a molecular weight of 400.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide is sourced from PubChem (CID 130361396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).