3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C25H26FN7O2 — CID 121249744

IUPAC3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)n1
InChIInChI=1S/C25H26FN7O2/c1-25(2,3)24-32-23(35-33-24)22(34)29-13-16-5-4-15(12-18(16)26)17-8-11-28-21-19(17)30-20(31-21)14-6-9-27-10-7-14/h4-6,8,11-12,27H,7,9-10,13H2,1-3H3,(H,29,34)(H,28,30,31)
InChIKeyDLWPSCPZNQLAHR-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.75
Rot. Bonds5

About 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 121249744) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID121249744
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)n1
InChIInChI=1S/C25H26FN7O2/c1-25(2,3)24-32-23(35-33-24)22(34)29-13-16-5-4-15(12-18(16)26)17-8-11-28-21-19(17)30-20(31-21)14-6-9-27-10-7-14/h4-6,8,11-12,27H,7,9-10,13H2,1-3H3,(H,29,34)(H,28,30,31)
InChIKeyDLWPSCPZNQLAHR-UHFFFAOYSA-N
XLogP3.75
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 121249744) is 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)n1.
What is the InChIKey of 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DLWPSCPZNQLAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-25(2,3)24-32-23(35-33-24)22(34)29-13-16-5-4-15(12-18(16)26)17-8-11-28-21-19(17)30-20(31-21)14-6-9-27-10-7-14/h4-6,8,11-12,27H,7,9-10,13H2,1-3H3,(H,29,34)(H,28,30,31).
What are the key properties of 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[[2-fluoro-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 121249744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).