N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde

C105H117B3F5N31O11 — CID 162203609

About N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde

N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde (PubChem CID 162203609) has the molecular formula C105H117B3F5N31O11 and a molecular weight of 2116.72 g/mol. Its IUPAC name is N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde
• PubChem CID: 162203609
• Molecular Formula: C105H117B3F5N31O11
• Molecular Weight: 2116.72 g/mol
• Exact Mass: 2115.97
• IUPAC Name: N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde
• SMILES: CB(O)NCc1cc(C)c(-c2ccnc(N)c2N)cc1F.CB(O)NCc1cc(C)c(-c2ccnc(N)c2[N+](=O)[O-])cc1F.CB(O)NCc1cc(C)c(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)cc1F.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.Cn1cc(C=O)cn1
• InChI: InChI=1S/C26H26FN7O2.C19H20BFN6O.C18H17FN6.C14H16BFN4O3.C14H18BFN4O.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;1-11-6-12(8-23-20(2)28)16(21)7-15(11)14-4-5-22-19-17(14)25-18(26-19)13-9-24-27(3)10-13;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;1-8-5-9(7-19-15(2)21)12(16)6-11(8)10-3-4-18-14(17)13(10)20(22)23;1-8-5-9(7-20-15(2)21)12(16)6-11(8)10-3-4-19-14(18)13(10)17;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);4-7,9-10,23,28H,8H2,1-3H3,(H,22,25,26);3-6,8-9H,7,20H2,1-2H3,(H,21,23,24);3-6,19,21H,7H2,1-2H3,(H2,17,18);3-6,20-21H,7,17H2,1-2H3,(H2,18,19);5H2,1-4H3;2-4H,1H3
• InChIKey: ZRXCGNAEKJGWLV-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 604.05 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2116.72
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde?

The IUPAC name of N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde (CID 162203609) is N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde.

What is the SMILES notation for N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde?

The canonical SMILES for N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde is CB(O)NCc1cc(C)c(-c2ccnc(N)c2N)cc1F.CB(O)NCc1cc(C)c(-c2ccnc(N)c2[N+](=O)[O-])cc1F.CB(O)NCc1cc(C)c(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)cc1F.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.Cn1cc(C=O)cn1.

What is the InChIKey of N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde?

The InChIKey is ZRXCGNAEKJGWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2.C19H20BFN6O.C18H17FN6.C14H16BFN4O3.C14H18BFN4O.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;1-11-6-12(8-23-20(2)28)16(21)7-15(11)14-4-5-22-19-17(14)25-18(26-19)13-9-24-27(3)10-13;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;1-8-5-9(7-19-15(2)21)12(16)6-11(8)10-3-4-18-14(17)13(10)20(22)23;1-8-5-9(7-20-15(2)21)12(16)6-11(8)10-3-4-19-14(18)13(10)17;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);4-7,9-10,23,28H,8H2,1-3H3,(H,22,25,26);3-6,8-9H,7,20H2,1-2H3,(H,21,23,24);3-6,19,21H,7H2,1-2H3,(H2,17,18);3-6,20-21H,7,17H2,1-2H3,(H2,18,19);5H2,1-4H3;2-4H,1H3.

What are the key properties of N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde?

N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde has a molecular weight of 2116.72 g/mol, XLogP of 15.80, 26 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-amino-3-nitro-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[4-(2,3-diamino-4-pyridinyl)-2-fluoro-5-methylphenyl]methyl]-methylboronamidic acid;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;N-[[2-fluoro-5-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-methylboronamidic acid;1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 162203609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).