3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide

C23H24N6O5 — CID 134263509

IUPAC3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide
SMILESCC(C)(C)c1noc(C(=O)O)n1.NC(=O)c1ccc(-c2ccnc3[nH]c(=O)[nH]c23)cc1C1CC1
InChIInChI=1S/C16H14N4O2.C7H10N2O3/c17-14(21)11-4-3-9(7-12(11)8-1-2-8)10-5-6-18-15-13(10)19-16(22)20-15;1-7(2,3)6-8-4(5(10)11)12-9-6/h3-8H,1-2H2,(H2,17,21)(H2,18,19,20,22);1-3H3,(H,10,11)
InChIKeyBFGPFJSNEJZXRT-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.96
Rot. Bonds4

About 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide

3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide (PubChem CID 134263509) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide.

Molecular Properties

Compound Name3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide
PubChem CID134263509
Molecular FormulaC23H24N6O5
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide
SMILESCC(C)(C)c1noc(C(=O)O)n1.NC(=O)c1ccc(-c2ccnc3[nH]c(=O)[nH]c23)cc1C1CC1
InChIInChI=1S/C16H14N4O2.C7H10N2O3/c17-14(21)11-4-3-9(7-12(11)8-1-2-8)10-5-6-18-15-13(10)19-16(22)20-15;1-7(2,3)6-8-4(5(10)11)12-9-6/h3-8H,1-2H2,(H2,17,21)(H2,18,19,20,22);1-3H3,(H,10,11)
InChIKeyBFGPFJSNEJZXRT-UHFFFAOYSA-N
XLogP2.96
TPSA180.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-N-[(5S)-8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437157
[2-fluoro-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate
CID 134265167
sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride
CID 175357428
3-tert-butyl-N-[[2-fluoro-4-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249945
N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide
CID 171803442
3-tert-butyl-N-[2-[2-(2-ethyl-3-methyl-1H-pyrazol-2-ium-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 166047921
3-tert-butyl-N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249798
3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 171803773
3-tert-butyl-N-[(1R)-1-[4-[3-[1-(dimethylcarbamoyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 135204429
3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane
CID 142291313
3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249896
N-[[2-(1,1-difluorobutyl)-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl]-N-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole-5-carboxamide
CID 134277420

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide?
The IUPAC name of 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide (CID 134263509) is 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide.
What is the SMILES notation for 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide?
The canonical SMILES for 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide is CC(C)(C)c1noc(C(=O)O)n1.NC(=O)c1ccc(-c2ccnc3[nH]c(=O)[nH]c23)cc1C1CC1.
What is the InChIKey of 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide?
The InChIKey is BFGPFJSNEJZXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2.C7H10N2O3/c17-14(21)11-4-3-9(7-12(11)8-1-2-8)10-5-6-18-15-13(10)19-16(22)20-15;1-7(2,3)6-8-4(5(10)11)12-9-6/h3-8H,1-2H2,(H2,17,21)(H2,18,19,20,22);1-3H3,(H,10,11).
What are the key properties of 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide?
3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide has a molecular weight of 464.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;2-cyclopropyl-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)benzamide is sourced from PubChem (CID 134263509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).