5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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

C50H51F2N15O4 — CID 145061538

IUPAC5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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
SMILESCC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)n1.CCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C25H25FN8O2.C25H26FN7O2/c1-5-34-13-16(12-29-34)20-30-19-17(8-9-27-21(19)31-20)14-6-7-15(18(26)10-14)11-28-22(35)23-32-33-24(36-23)25(2,3)4;1-25(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/h6-10,12-13H,5,11H2,1-4H3,(H,28,35)(H,27,30,31);4-6,8,11-12,27H,7,9-10,13H2,1-3H3,(H,29,34)(H,28,30,31)
InChIKeyBYUABWNUNQCOEY-UHFFFAOYSA-N
MW964.05 g/mol
LogP8.01
Rot. Bonds11

About 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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

5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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 145061538) has the molecular formula C50H51F2N15O4 and a molecular weight of 964.05 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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.

Molecular Properties

Compound Name5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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 CID145061538
Molecular FormulaC50H51F2N15O4
Molecular Weight964.05 g/mol
Exact Mass963.42
IUPAC Name5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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
SMILESCC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)n1.CCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C25H25FN8O2.C25H26FN7O2/c1-5-34-13-16(12-29-34)20-30-19-17(8-9-27-21(19)31-20)14-6-7-15(18(26)10-14)11-28-22(35)23-32-33-24(36-23)25(2,3)4;1-25(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/h6-10,12-13H,5,11H2,1-4H3,(H,28,35)(H,27,30,31);4-6,8,11-12,27H,7,9-10,13H2,1-3H3,(H,29,34)(H,28,30,31)
InChIKeyBYUABWNUNQCOEY-UHFFFAOYSA-N
XLogP8.01
TPSA249.03 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.05
LogP ≤ 58.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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 with MolForge

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Related Compounds

3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437124
3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437256
3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437264
3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437414
US11098041, Example 124
CID 121249831
US11098041, Example 165
CID 121249989
US11098041, Example 116
CID 121249996
US11098041, Example 187
CID 121250008
3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437122
3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437173
3-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437177

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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?
The IUPAC name of 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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 (CID 145061538) is 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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.
What is the SMILES notation for 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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?
The canonical SMILES for 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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 is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(C5=CCNCC5)[nH]c34)cc2F)n1.CCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5nnc(C(C)(C)C)o5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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?
The InChIKey is BYUABWNUNQCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2.C25H26FN7O2/c1-5-34-13-16(12-29-34)20-30-19-17(8-9-27-21(19)31-20)14-6-7-15(18(26)10-14)11-28-22(35)23-32-33-24(36-23)25(2,3)4;1-25(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/h6-10,12-13H,5,11H2,1-4H3,(H,28,35)(H,27,30,31);4-6,8,11-12,27H,7,9-10,13H2,1-3H3,(H,29,34)(H,28,30,31).
What are the key properties of 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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?
5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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 964.05 g/mol, XLogP of 8.01, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[4-[2-(1-ethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,3,4-oxadiazole-2-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 is sourced from PubChem (CID 145061538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).