N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

C20H17F7N4O3 — CID 167288814

IUPACN-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(OC(F)(F)F)c(F)c3)c2nc1C(F)(F)F
InChIInChI=1S/C20H17F7N4O3/c1-9-6-12-16(30-15(9)19(22,23)24)31(17(28-12)29-14(32)8-18(2,3)33)10-4-5-13(11(21)7-10)34-20(25,26)27/h4-7,33H,8H2,1-3H3,(H,28,29,32)
InChIKeyJGSLCUYCTWWJNR-UHFFFAOYSA-N
MW494.37 g/mol
LogP4.88
Rot. Bonds5

About N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 167288814) has the molecular formula C20H17F7N4O3 and a molecular weight of 494.37 g/mol. Its IUPAC name is N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID167288814
Molecular FormulaC20H17F7N4O3
Molecular Weight494.37 g/mol
Exact Mass494.12
IUPAC NameN-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCc1cc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(OC(F)(F)F)c(F)c3)c2nc1C(F)(F)F
InChIInChI=1S/C20H17F7N4O3/c1-9-6-12-16(30-15(9)19(22,23)24)31(17(28-12)29-14(32)8-18(2,3)33)10-4-5-13(11(21)7-10)34-20(25,26)27/h4-7,33H,8H2,1-3H3,(H,28,29,32)
InChIKeyJGSLCUYCTWWJNR-UHFFFAOYSA-N
XLogP4.88
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361608
N-[5-chloro-3-(3,4-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-chloro-3-(3,5-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 160549347
3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130359669
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide
CID 118938158
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361336
N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129075871
3,3-dimethyl-N-[6-methyl-1-[4-(trifluoromethoxy)phenyl]benzimidazol-2-yl]butanamide
CID 118941508
N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129064863
N-[3-(2,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 130359706
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90448043
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
(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (CID 167288814) is N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is Cc1cc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(OC(F)(F)F)c(F)c3)c2nc1C(F)(F)F.
What is the InChIKey of N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is JGSLCUYCTWWJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F7N4O3/c1-9-6-12-16(30-15(9)19(22,23)24)31(17(28-12)29-14(32)8-18(2,3)33)10-4-5-13(11(21)7-10)34-20(25,26)27/h4-7,33H,8H2,1-3H3,(H,28,29,32).
What are the key properties of N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 494.37 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 167288814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).