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

C26H24FN7O3 — CID 121249707

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C26H24FN7O3/c1-26(2,3)25-34-33-24(37-25)23(35)30-12-15-6-5-14(11-18(15)27)17-9-10-28-22-20(17)31-21(32-22)19-8-7-16(36-4)13-29-19/h5-11,13H,12H2,1-4H3,(H,30,35)(H,28,31,32)
InChIKeyMXZPZIALSJLIKJ-UHFFFAOYSA-N
MW501.52 g/mol
LogP4.45
Rot. Bonds6

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

5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121249707) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-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-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID121249707
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)nc1
InChIInChI=1S/C26H24FN7O3/c1-26(2,3)25-34-33-24(37-25)23(35)30-12-15-6-5-14(11-18(15)27)17-9-10-28-22-20(17)31-21(32-22)19-8-7-16(36-4)13-29-19/h5-11,13H,12H2,1-4H3,(H,30,35)(H,28,31,32)
InChIKeyMXZPZIALSJLIKJ-UHFFFAOYSA-N
XLogP4.45
TPSA131.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-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-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 121249707) is 5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-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-(5-methoxy-2-pyridinyl)-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-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)nc1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MXZPZIALSJLIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c1-26(2,3)25-34-33-24(37-25)23(35)30-12-15-6-5-14(11-18(15)27)17-9-10-28-22-20(17)31-21(32-22)19-8-7-16(36-4)13-29-19/h5-11,13H,12H2,1-4H3,(H,30,35)(H,28,31,32).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121249707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).