5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C26H25FN8O3 — CID 121249848

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C6COC6)c5)[nH]c34)cc2F)no1
InChIInChI=1S/C26H25FN8O3/c1-26(2,3)25-33-23(34-38-25)24(36)29-9-15-5-4-14(8-19(15)27)18-6-7-28-22-20(18)31-21(32-22)16-10-30-35(11-16)17-12-37-13-17/h4-8,10-11,17H,9,12-13H2,1-3H3,(H,29,36)(H,28,31,32)
InChIKeyYECRSWTYNXGEOT-UHFFFAOYSA-N
MW516.54 g/mol
LogP3.81
Rot. Bonds6

About 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249848) has the molecular formula C26H25FN8O3 and a molecular weight of 516.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249848
Molecular FormulaC26H25FN8O3
Molecular Weight516.54 g/mol
Exact Mass516.20
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C6COC6)c5)[nH]c34)cc2F)no1
InChIInChI=1S/C26H25FN8O3/c1-26(2,3)25-33-23(34-38-25)24(36)29-9-15-5-4-14(8-19(15)27)18-6-7-28-22-20(18)31-21(32-22)16-10-30-35(11-16)17-12-37-13-17/h4-8,10-11,17H,9,12-13H2,1-3H3,(H,29,36)(H,28,31,32)
InChIKeyYECRSWTYNXGEOT-UHFFFAOYSA-N
XLogP3.81
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249848) is 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C6COC6)c5)[nH]c34)cc2F)no1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YECRSWTYNXGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O3/c1-26(2,3)25-33-23(34-38-25)24(36)29-9-15-5-4-14(8-19(15)27)18-6-7-28-22-20(18)31-21(32-22)16-10-30-35(11-16)17-12-37-13-17/h4-8,10-11,17H,9,12-13H2,1-3H3,(H,29,36)(H,28,31,32).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 516.54 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).