tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde

C126H138F10N28O9 — CID 160557241

About tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde

tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde (PubChem CID 160557241) has the molecular formula C126H138F10N28O9 and a molecular weight of 2378.66 g/mol. Its IUPAC name is tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde
• PubChem CID: 160557241
• Molecular Formula: C126H138F10N28O9
• Molecular Weight: 2378.66 g/mol
• Exact Mass: 2377.10
• IUPAC Name: tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde
• SMILES: CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3nc(-c4ccc(N5CCC(F)CC5)cn4)[nH]c23)cc1F.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1.CCOC(=O)c1noc(C(C)(C)C)n1.CCc1ccc(-c2ccnc(N)c2N)cc1F.FC1CCNCC1.NCc1ccc(-c2ccnc3nc(-c4ccc(N5CCC(F)CC5)cn4)[nH]c23)cc1F.O=Cc1ccc(F)cn1.O=Cc1ccc(N2CCC(F)CC2)cn1
• InChI: InChI=1S/C31H31F2N7O2.C28H30F2N6O2.C23H22F2N6.C13H14FN3.C11H13FN2O.C9H14N2O3.C6H4FNO.C5H10FN/c1-31(2,3)30-38-28(39-42-30)25(41)9-6-18-4-5-19(16-23(18)33)22-10-13-34-29-26(22)36-27(37-29)24-8-7-21(17-35-24)40-14-11-20(32)12-15-40;1-28(2,3)38-27(37)33-15-18-5-4-17(14-22(18)30)21-8-11-31-26-24(21)34-25(35-26)23-7-6-20(16-32-23)36-12-9-19(29)10-13-36;24-16-6-9-31(10-7-16)17-3-4-20(28-13-17)22-29-21-18(5-8-27-23(21)30-22)14-1-2-15(12-26)19(25)11-14;1-2-8-3-4-9(7-11(8)14)10-5-6-17-13(16)12(10)15;12-9-3-5-14(6-4-9)11-2-1-10(8-15)13-7-11;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;7-5-1-2-6(4-9)8-3-5;6-5-1-3-7-4-2-5/h4-5,7-8,10,13,16-17,20H,6,9,11-12,14-15H2,1-3H3,(H,34,36,37);4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,33,37)(H,31,34,35);1-5,8,11,13,16H,6-7,9-10,12,26H2,(H,27,29,30);3-7H,2,15H2,1H3,(H2,16,17);1-2,7-9H,3-6H2;5H2,1-4H3;1-4H;5,7H,1-4H2
• InChIKey: QYVQEYRVILSMSK-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 498.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.66
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde?

The IUPAC name of tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde (CID 160557241) is tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde.

What is the SMILES notation for tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde?

The canonical SMILES for tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde is CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3nc(-c4ccc(N5CCC(F)CC5)cn4)[nH]c23)cc1F.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)no1.CCOC(=O)c1noc(C(C)(C)C)n1.CCc1ccc(-c2ccnc(N)c2N)cc1F.FC1CCNCC1.NCc1ccc(-c2ccnc3nc(-c4ccc(N5CCC(F)CC5)cn4)[nH]c23)cc1F.O=Cc1ccc(F)cn1.O=Cc1ccc(N2CCC(F)CC2)cn1.

What is the InChIKey of tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde?

The InChIKey is QYVQEYRVILSMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N7O2.C28H30F2N6O2.C23H22F2N6.C13H14FN3.C11H13FN2O.C9H14N2O3.C6H4FNO.C5H10FN/c1-31(2,3)30-38-28(39-42-30)25(41)9-6-18-4-5-19(16-23(18)33)22-10-13-34-29-26(22)36-27(37-29)24-8-7-21(17-35-24)40-14-11-20(32)12-15-40;1-28(2,3)38-27(37)33-15-18-5-4-17(14-22(18)30)21-8-11-31-26-24(21)34-25(35-26)23-7-6-20(16-32-23)36-12-9-19(29)10-13-36;24-16-6-9-31(10-7-16)17-3-4-20(28-13-17)22-29-21-18(5-8-27-23(21)30-22)14-1-2-15(12-26)19(25)11-14;1-2-8-3-4-9(7-11(8)14)10-5-6-17-13(16)12(10)15;12-9-3-5-14(6-4-9)11-2-1-10(8-15)13-7-11;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;7-5-1-2-6(4-9)8-3-5;6-5-1-3-7-4-2-5/h4-5,7-8,10,13,16-17,20H,6,9,11-12,14-15H2,1-3H3,(H,34,36,37);4-8,11,14,16,19H,9-10,12-13,15H2,1-3H3,(H,33,37)(H,31,34,35);1-5,8,11,13,16H,6-7,9-10,12,26H2,(H,27,29,30);3-7H,2,15H2,1H3,(H2,16,17);1-2,7-9H,3-6H2;5H2,1-4H3;1-4H;5,7H,1-4H2.

What are the key properties of tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde?

tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde has a molecular weight of 2378.66 g/mol, XLogP of 24.00, 23 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;[2-fluoro-4-[2-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;4-fluoropiperidine;5-(4-fluoropiperidin-1-yl)pyridine-2-carbaldehyde;5-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 160557241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).