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

C123H147F4N31O10 — CID 159750846

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

tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde (PubChem CID 159750846) has the molecular formula C123H147F4N31O10 and a molecular weight of 2295.73 g/mol. Its IUPAC name is tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde
• PubChem CID: 159750846
• Molecular Formula: C123H147F4N31O10
• Molecular Weight: 2295.73 g/mol
• Exact Mass: 2294.19
• IUPAC Name: tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde
• SMILES: CC(C)(C)OC(=O)NCc1ccc(-c2ccnc(N)c2N)cc1F.CCOC(=O)c1noc(C(C)(C)C)n1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CN)c(F)c5)c4[nH]3)nc2)CC1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CNC(=O)OC(C)(C)C)c(F)c5)c4[nH]3)nc2)CC1.CN1CCN(Cc2ccc(C=O)nc2)CC1
• InChI: InChI=1S/C32H35FN8O2.C29H34FN7O2.C24H26FN7.C17H21FN4O2.C12H17N3O.C9H14N2O3/c1-32(2,3)31-38-29(39-43-31)26(42)10-8-21-6-7-22(17-24(21)33)23-11-12-34-30-27(23)36-28(37-30)25-9-5-20(18-35-25)19-41-15-13-40(4)14-16-41;1-29(2,3)39-28(38)33-17-21-7-6-20(15-23(21)30)22-9-10-31-27-25(22)34-26(35-27)24-8-5-19(16-32-24)18-37-13-11-36(4)12-14-37;1-31-8-10-32(11-9-31)15-16-2-5-21(28-14-16)23-29-22-19(6-7-27-24(22)30-23)17-3-4-18(13-26)20(25)12-17;1-17(2,3)24-16(23)22-9-11-5-4-10(8-13(11)18)12-6-7-21-15(20)14(12)19;1-14-4-6-15(7-5-14)9-11-2-3-12(10-16)13-8-11;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h5-7,9,11-12,17-18H,8,10,13-16,19H2,1-4H3,(H,34,36,37);5-10,15-16H,11-14,17-18H2,1-4H3,(H,33,38)(H,31,34,35);2-7,12,14H,8-11,13,15,26H2,1H3,(H,27,29,30);4-8H,9,19H2,1-3H3,(H2,20,21)(H,22,23);2-3,8,10H,4-7,9H2,1H3;5H2,1-4H3
• InChIKey: NDPZVGITGULMMZ-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 508.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.73
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde (CID 159750846) is tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde.

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

The canonical SMILES for tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde is CC(C)(C)OC(=O)NCc1ccc(-c2ccnc(N)c2N)cc1F.CCOC(=O)c1noc(C(C)(C)C)n1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CN)c(F)c5)c4[nH]3)nc2)CC1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CNC(=O)OC(C)(C)C)c(F)c5)c4[nH]3)nc2)CC1.CN1CCN(Cc2ccc(C=O)nc2)CC1.

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

The InChIKey is NDPZVGITGULMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN8O2.C29H34FN7O2.C24H26FN7.C17H21FN4O2.C12H17N3O.C9H14N2O3/c1-32(2,3)31-38-29(39-43-31)26(42)10-8-21-6-7-22(17-24(21)33)23-11-12-34-30-27(23)36-28(37-30)25-9-5-20(18-35-25)19-41-15-13-40(4)14-16-41;1-29(2,3)39-28(38)33-17-21-7-6-20(15-23(21)30)22-9-10-31-27-25(22)34-26(35-27)24-8-5-19(16-32-24)18-37-13-11-36(4)12-14-37;1-31-8-10-32(11-9-31)15-16-2-5-21(28-14-16)23-29-22-19(6-7-27-24(22)30-23)17-3-4-18(13-26)20(25)12-17;1-17(2,3)24-16(23)22-9-11-5-4-10(8-13(11)18)12-6-7-21-15(20)14(12)19;1-14-4-6-15(7-5-14)9-11-2-3-12(10-16)13-8-11;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h5-7,9,11-12,17-18H,8,10,13-16,19H2,1-4H3,(H,34,36,37);5-10,15-16H,11-14,17-18H2,1-4H3,(H,33,38)(H,31,34,35);2-7,12,14H,8-11,13,15,26H2,1H3,(H,27,29,30);4-8H,9,19H2,1-3H3,(H2,20,21)(H,22,23);2-3,8,10H,4-7,9H2,1H3;5H2,1-4H3.

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

tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde has a molecular weight of 2295.73 g/mol, XLogP of 17.96, 27 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluorophenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-4-[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 159750846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).