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

C26H28FN7O2 — CID 121249869

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1CC=C(c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)CC1
InChIInChI=1S/C26H28FN7O2/c1-26(2,3)25-33-32-24(36-25)23(35)29-14-17-6-5-16(13-19(17)27)18-7-10-28-22-20(18)30-21(31-22)15-8-11-34(4)12-9-15/h5-8,10,13H,9,11-12,14H2,1-4H3,(H,29,35)(H,28,30,31)
InChIKeyAYQLBHRACRCONE-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.09
Rot. Bonds5

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

5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121249869) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID121249869
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1CC=C(c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)CC1
InChIInChI=1S/C26H28FN7O2/c1-26(2,3)25-33-32-24(36-25)23(35)29-14-17-6-5-16(13-19(17)27)18-7-10-28-22-20(18)30-21(31-22)15-8-11-34(4)12-9-15/h5-8,10,13H,9,11-12,14H2,1-4H3,(H,29,35)(H,28,30,31)
InChIKeyAYQLBHRACRCONE-UHFFFAOYSA-N
XLogP4.09
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.09
H-Bond Donors ≤ 52
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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 121249869) is 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is CN1CC=C(c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)CC1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AYQLBHRACRCONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-26(2,3)25-33-32-24(36-25)23(35)29-14-17-6-5-16(13-19(17)27)18-7-10-28-22-20(18)30-21(31-22)15-8-11-34(4)12-9-15/h5-8,10,13H,9,11-12,14H2,1-4H3,(H,29,35)(H,28,30,31).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121249869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).