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

C25H26FN7O3 — CID 121249763

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-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(C5CCNC(=O)C5)[nH]c34)cc2F)no1
InChIInChI=1S/C25H26FN7O3/c1-25(2,3)24-32-22(33-36-24)23(35)29-12-15-5-4-13(10-17(15)26)16-7-9-28-21-19(16)30-20(31-21)14-6-8-27-18(34)11-14/h4-5,7,9-10,14H,6,8,11-12H2,1-3H3,(H,27,34)(H,29,35)(H,28,30,31)
InChIKeyLZMNGVWQWVHXMQ-UHFFFAOYSA-N
MW491.53 g/mol
LogP3.37
Rot. Bonds5

About 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-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-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249763) has the molecular formula C25H26FN7O3 and a molecular weight of 491.53 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-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-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249763
Molecular FormulaC25H26FN7O3
Molecular Weight491.53 g/mol
Exact Mass491.21
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-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(C5CCNC(=O)C5)[nH]c34)cc2F)no1
InChIInChI=1S/C25H26FN7O3/c1-25(2,3)24-32-22(33-36-24)23(35)29-12-15-5-4-13(10-17(15)26)16-7-9-28-21-19(16)30-20(31-21)14-6-8-27-18(34)11-14/h4-5,7,9-10,14H,6,8,11-12H2,1-3H3,(H,27,34)(H,29,35)(H,28,30,31)
InChIKeyLZMNGVWQWVHXMQ-UHFFFAOYSA-N
XLogP3.37
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-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-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249763) is 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-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-(2-oxopiperidin-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-(2-oxopiperidin-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(C5CCNC(=O)C5)[nH]c34)cc2F)no1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LZMNGVWQWVHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O3/c1-25(2,3)24-32-22(33-36-24)23(35)29-12-15-5-4-13(10-17(15)26)16-7-9-28-21-19(16)30-20(31-21)14-6-8-27-18(34)11-14/h4-5,7,9-10,14H,6,8,11-12H2,1-3H3,(H,27,34)(H,29,35)(H,28,30,31).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-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-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-(2-oxopiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).