3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide

C20H21F3N4O2 — CID 130359669

IUPAC3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3ccc(OC(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H21F3N4O2/c1-12-5-10-15-17(24-12)27(18(25-15)26-16(28)11-19(2,3)4)13-6-8-14(9-7-13)29-20(21,22)23/h5-10H,11H2,1-4H3,(H,25,26,28)
InChIKeyPZWUDBBPCJYPGE-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.00
Rot. Bonds4

About 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide

3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 130359669) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID130359669
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3ccc(OC(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H21F3N4O2/c1-12-5-10-15-17(24-12)27(18(25-15)26-16(28)11-19(2,3)4)13-6-8-14(9-7-13)29-20(21,22)23/h5-10H,11H2,1-4H3,(H,25,26,28)
InChIKeyPZWUDBBPCJYPGE-UHFFFAOYSA-N
XLogP5.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[6-methyl-1-[4-(trifluoromethoxy)phenyl]benzimidazol-2-yl]butanamide
CID 118941508
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-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 118697321
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90448043
N-[3-(2,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 130359706
(2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 159237204
N-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361608
(3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide
CID 162079912
N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 167288814
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-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 157258571
(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 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide (CID 130359669) is 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide is Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3ccc(OC(F)(F)F)cc3)c2n1.
What is the InChIKey of 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is PZWUDBBPCJYPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-12-5-10-15-17(24-12)27(18(25-15)26-16(28)11-19(2,3)4)13-6-8-14(9-7-13)29-20(21,22)23/h5-10H,11H2,1-4H3,(H,25,26,28).
What are the key properties of 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 406.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 130359669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).