tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde

C117H132F5N31O14 — CID 160615025

About tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde

tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde (PubChem CID 160615025) has the molecular formula C117H132F5N31O14 and a molecular weight of 2291.54 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde
• PubChem CID: 160615025
• Molecular Formula: C117H132F5N31O14
• Molecular Weight: 2291.54 g/mol
• Exact Mass: 2290.05
• IUPAC Name: tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde
• SMILES: CCOC(=O)c1noc(C(C)(C)C)n1.Cc1cc(CCC(=O)c2noc(C(C)(C)C)n2)c(F)cc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cc1cc(CN)c(F)cc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1-c1ccnc(N)c1N.Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1-c1ccnc(N)c1[N+](=O)[O-].Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cn1cc(C=O)cn1
• InChI: InChI=1S/C26H26FN7O2.C23H25FN6O2.C18H17FN6.C18H21FN4O4.C18H23FN4O2.C9H14N2O3.C5H6N2O/c1-14-10-15(6-7-20(35)23-32-25(36-33-23)26(2,3)4)19(27)11-18(14)17-8-9-28-24-21(17)30-22(31-24)16-12-29-34(5)13-16;1-13-8-14(10-26-22(31)32-23(2,3)4)18(24)9-17(13)16-6-7-25-21-19(16)28-20(29-21)15-11-27-30(5)12-15;1-10-5-11(7-20)15(19)6-14(10)13-3-4-21-18-16(13)23-17(24-18)12-8-22-25(2)9-12;1-10-7-11(9-22-17(24)27-18(2,3)4)14(19)8-13(10)12-5-6-21-16(20)15(12)23(25)26;1-10-7-11(9-23-17(24)25-18(2,3)4)14(19)8-13(10)12-5-6-22-16(21)15(12)20;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;1-7-3-5(4-8)2-6-7/h8-13H,6-7H2,1-5H3,(H,28,30,31);6-9,11-12H,10H2,1-5H3,(H,26,31)(H,25,28,29);3-6,8-9H,7,20H2,1-2H3,(H,21,23,24);5-8H,9H2,1-4H3,(H2,20,21)(H,22,24);5-8H,9,20H2,1-4H3,(H2,21,22)(H,23,24);5H2,1-4H3;2-4H,1H3
• InChIKey: RFZAKZRDFDTJRB-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 622.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.54
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde (CID 160615025) is tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde.

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

The canonical SMILES for tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde is CCOC(=O)c1noc(C(C)(C)C)n1.Cc1cc(CCC(=O)c2noc(C(C)(C)C)n2)c(F)cc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cc1cc(CN)c(F)cc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1-c1ccnc(N)c1N.Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1-c1ccnc(N)c1[N+](=O)[O-].Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cn1cc(C=O)cn1.

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

The InChIKey is RFZAKZRDFDTJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2.C23H25FN6O2.C18H17FN6.C18H21FN4O4.C18H23FN4O2.C9H14N2O3.C5H6N2O/c1-14-10-15(6-7-20(35)23-32-25(36-33-23)26(2,3)4)19(27)11-18(14)17-8-9-28-24-21(17)30-22(31-24)16-12-29-34(5)13-16;1-13-8-14(10-26-22(31)32-23(2,3)4)18(24)9-17(13)16-6-7-25-21-19(16)28-20(29-21)15-11-27-30(5)12-15;1-10-5-11(7-20)15(19)6-14(10)13-3-4-21-18-16(13)23-17(24-18)12-8-22-25(2)9-12;1-10-7-11(9-22-17(24)27-18(2,3)4)14(19)8-13(10)12-5-6-21-16(20)15(12)23(25)26;1-10-7-11(9-23-17(24)25-18(2,3)4)14(19)8-13(10)12-5-6-22-16(21)15(12)20;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;1-7-3-5(4-8)2-6-7/h8-13H,6-7H2,1-5H3,(H,28,30,31);6-9,11-12H,10H2,1-5H3,(H,26,31)(H,25,28,29);3-6,8-9H,7,20H2,1-2H3,(H,21,23,24);5-8H,9H2,1-4H3,(H2,20,21)(H,22,24);5-8H,9,20H2,1-4H3,(H2,21,22)(H,23,24);5H2,1-4H3;2-4H,1H3.

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

tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde has a molecular weight of 2291.54 g/mol, XLogP of 21.27, 23 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]carbamate;tert-butyl N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine;1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 160615025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).