(3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol

C126H143F5N28O19 — CID 161142513

About (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol

(3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol (PubChem CID 161142513) has the molecular formula C126H143F5N28O19 and a molecular weight of 2448.70 g/mol. Its IUPAC name is (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol.

Molecular Properties

• Compound Name: (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol
• PubChem CID: 161142513
• Molecular Formula: C126H143F5N28O19
• Molecular Weight: 2448.70 g/mol
• Exact Mass: 2447.10
• IUPAC Name: (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol
• SMILES: CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3nc(-c4ccc(N5CC[C@H](O)[C@@H](O)C5)cn4)[nH]c23)cc1F.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CC[C@H](O)[C@@H](O)C6)cn5)[nH]c34)cc2F)no1.CCOC(=O)c1noc(C(C)(C)C)n1.CCc1ccc(-c2ccnc(N)c2N)cc1F.NCc1ccc(-c2ccnc3nc(-c4ccc(N5CC[C@H](O)[C@@H](O)C5)cn4)[nH]c23)cc1F.O=Cc1ccc(F)cn1.O=Cc1ccc(N2CC[C@H](O)[C@@H](O)C2)cn1.O[C@H]1CCNC[C@@H]1O
• InChI: InChI=1S/C31H32FN7O4.C28H31FN6O4.C23H23FN6O2.C13H14FN3.C11H14N2O3.C9H14N2O3.C6H4FNO.C5H11NO2/c1-31(2,3)30-37-28(38-43-30)24(41)9-6-17-4-5-18(14-21(17)32)20-10-12-33-29-26(20)35-27(36-29)22-8-7-19(15-34-22)39-13-11-23(40)25(42)16-39;1-28(2,3)39-27(38)32-13-17-5-4-16(12-20(17)29)19-8-10-30-26-24(19)33-25(34-26)21-7-6-18(14-31-21)35-11-9-22(36)23(37)15-35;24-17-9-13(1-2-14(17)10-25)16-5-7-26-23-21(16)28-22(29-23)18-4-3-15(11-27-18)30-8-6-19(31)20(32)12-30;1-2-8-3-4-9(7-11(8)14)10-5-6-17-13(16)12(10)15;14-7-8-1-2-9(5-12-8)13-4-3-10(15)11(16)6-13;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;7-4-1-2-6-3-5(4)8/h4-5,7-8,10,12,14-15,23,25,40,42H,6,9,11,13,16H2,1-3H3,(H,33,35,36);4-8,10,12,14,22-23,36-37H,9,11,13,15H2,1-3H3,(H,32,38)(H,30,33,34);1-5,7,9,11,19-20,31-32H,6,8,10,12,25H2,(H,26,28,29);3-7H,2,15H2,1H3,(H2,16,17);1-2,5,7,10-11,15-16H,3-4,6H2;5H2,1-4H3;1-4H;4-8H,1-3H2/t23-,25-;22-,23-;19-,20-;;10-,11-;;;4-,5-/m000.0..0/s1
• InChIKey: UNQCDLXSWSDJTH-WTENEHKNSA-N
• XLogP: 13.97
• TPSA: 701.08 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 43
• Rotatable Bonds: 23
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.70
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol?

The IUPAC name of (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol (CID 161142513) is (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol.

What is the SMILES notation for (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol?

The canonical SMILES for (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol is CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3nc(-c4ccc(N5CC[C@H](O)[C@@H](O)C5)cn4)[nH]c23)cc1F.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CC[C@H](O)[C@@H](O)C6)cn5)[nH]c34)cc2F)no1.CCOC(=O)c1noc(C(C)(C)C)n1.CCc1ccc(-c2ccnc(N)c2N)cc1F.NCc1ccc(-c2ccnc3nc(-c4ccc(N5CC[C@H](O)[C@@H](O)C5)cn4)[nH]c23)cc1F.O=Cc1ccc(F)cn1.O=Cc1ccc(N2CC[C@H](O)[C@@H](O)C2)cn1.O[C@H]1CCNC[C@@H]1O.

What is the InChIKey of (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol?

The InChIKey is UNQCDLXSWSDJTH-WTENEHKNSA-N. The full InChI is InChI=1S/C31H32FN7O4.C28H31FN6O4.C23H23FN6O2.C13H14FN3.C11H14N2O3.C9H14N2O3.C6H4FNO.C5H11NO2/c1-31(2,3)30-37-28(38-43-30)24(41)9-6-17-4-5-18(14-21(17)32)20-10-12-33-29-26(20)35-27(36-29)22-8-7-19(15-34-22)39-13-11-23(40)25(42)16-39;1-28(2,3)39-27(38)32-13-17-5-4-16(12-20(17)29)19-8-10-30-26-24(19)33-25(34-26)21-7-6-18(14-31-21)35-11-9-22(36)23(37)15-35;24-17-9-13(1-2-14(17)10-25)16-5-7-26-23-21(16)28-22(29-23)18-4-3-15(11-27-18)30-8-6-19(31)20(32)12-30;1-2-8-3-4-9(7-11(8)14)10-5-6-17-13(16)12(10)15;14-7-8-1-2-9(5-12-8)13-4-3-10(15)11(16)6-13;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;7-4-1-2-6-3-5(4)8/h4-5,7-8,10,12,14-15,23,25,40,42H,6,9,11,13,16H2,1-3H3,(H,33,35,36);4-8,10,12,14,22-23,36-37H,9,11,13,15H2,1-3H3,(H,32,38)(H,30,33,34);1-5,7,9,11,19-20,31-32H,6,8,10,12,25H2,(H,26,28,29);3-7H,2,15H2,1H3,(H2,16,17);1-2,5,7,10-11,15-16H,3-4,6H2;5H2,1-4H3;1-4H;4-8H,1-3H2/t23-,25-;22-,23-;19-,20-;;10-,11-;;;4-,5-/m000.0..0/s1.

What are the key properties of (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol?

(3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol has a molecular weight of 2448.70 g/mol, XLogP of 13.97, 23 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]piperidine-3,4-diol;tert-butyl N-[[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]pyridine-2-carbaldehyde;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;5-fluoropyridine-2-carbaldehyde;(3S,4S)-piperidine-3,4-diol is sourced from PubChem (CID 161142513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).