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

C57H56F3N15O3 — CID 145061610

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C30H30F2N8O2.C27H26FN7O/c1-30(2,3)29-38-27(39-42-29)28(41)35-15-18-5-4-17(14-22(18)32)21-8-11-33-26-24(21)36-25(37-26)23-7-6-20(16-34-23)40-12-9-19(31)10-13-40;1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(4)15-18/h4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,35,41)(H,33,36,37);5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34)
InChIKeyWAUHXWNXOXLPLO-UHFFFAOYSA-N
MW1056.17 g/mol
LogP10.16
Rot. Bonds11

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

5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 145061610) has the molecular formula C57H56F3N15O3 and a molecular weight of 1056.17 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID145061610
Molecular FormulaC57H56F3N15O3
Molecular Weight1056.17 g/mol
Exact Mass1055.46
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C30H30F2N8O2.C27H26FN7O/c1-30(2,3)29-38-27(39-42-29)28(41)35-15-18-5-4-17(14-22(18)32)21-8-11-33-26-24(21)36-25(37-26)23-7-6-20(16-34-23)40-12-9-19(31)10-13-40;1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(4)15-18/h4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,35,41)(H,33,36,37);5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34)
InChIKeyWAUHXWNXOXLPLO-UHFFFAOYSA-N
XLogP10.16
TPSA227.10 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001056.17
LogP ≤ 510.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-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
US11098041, Example 116
CID 121249996
US11098041, Example 187
CID 121250008
4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phenyl)-1Hpyrazol-4-yl]-N-[2-(4-methyl-1-piperazinyl)ethyl]-1H-pyrrolo-[2,3-b]pyridine-2-carboxamide
CID 46236769
US11098041, Example 8
CID 121249706
US11098041, Example 168
CID 121249903
US11098041, Example 100
CID 121250032
N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
4-[1-ethyl-3-[4-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 46236768
US11098041, Example 127
CID 121249682
US11098041, Example 119
CID 121249698
US11098041, Example 131
CID 121249701

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide (CID 145061610) is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is WAUHXWNXOXLPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O2.C27H26FN7O/c1-30(2,3)29-38-27(39-42-29)28(41)35-15-18-5-4-17(14-22(18)32)21-8-11-33-26-24(21)36-25(37-26)23-7-6-20(16-34-23)40-12-9-19(31)10-13-40;1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(4)15-18/h4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,35,41)(H,33,36,37);5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 1056.17 g/mol, XLogP of 10.16, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 145061610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).