2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C118H142BI3N34O16 — CID 159411687

About 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159411687) has the molecular formula C118H142BI3N34O16 and a molecular weight of 2684.18 g/mol. Its IUPAC name is 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159411687
• Molecular Formula: C118H142BI3N34O16
• Molecular Weight: 2684.18 g/mol
• Exact Mass: 2682.86
• IUPAC Name: 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3[nH]c(-c4cc(I)cnc4N)nc23)CC1.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)NC5CCN(C(=O)OC(C)(C)C)CC5)cccc4[nH]3)c2)cn1.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)NC5CCNCC5)cccc4[nH]3)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cccc(C(=O)O)c1N.Nc1ncc(I)cc1-c1nc2c(C(=O)O)cccc2[nH]1.Nc1ncc(I)cc1C=O
• InChI: InChI=1S/C27H32N8O3.C23H27IN6O3.C22H24N8O.C13H9IN4O2.C10H17BN2O2.C10H20N2O2.C7H8N2O2.C6H5IN2O/c1-27(2,3)38-26(37)35-10-8-18(9-11-35)31-25(36)19-6-5-7-21-22(19)33-24(32-21)20-12-16(13-29-23(20)28)17-14-30-34(4)15-17;1-23(2,3)33-22(32)30-9-7-14(8-10-30)27-21(31)15-5-4-6-17-18(15)29-20(28-17)16-11-13(24)12-26-19(16)25;1-30-12-14(11-26-30)13-9-17(20(23)25-10-13)21-28-18-4-2-3-16(19(18)29-21)22(31)27-15-5-7-24-8-6-15;14-6-4-8(11(15)16-5-6)12-17-9-3-1-2-7(13(19)20)10(9)18-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;8-5-3-1-2-4(6(5)9)7(10)11;7-5-1-4(3-10)6(8)9-2-5/h5-7,12-15,18H,8-11H2,1-4H3,(H2,28,29)(H,31,36)(H,32,33);4-6,11-12,14H,7-10H2,1-3H3,(H2,25,26)(H,27,31)(H,28,29);2-4,9-12,15,24H,5-8H2,1H3,(H2,23,25)(H,27,31)(H,28,29);1-5H,(H2,15,16)(H,17,18)(H,19,20);6-7H,1-5H3;8H,4-7,11H2,1-3H3;1-3H,8-9H2,(H,10,11);1-3H,(H2,8,9)
• InChIKey: LOQQUILDIYGSFJ-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 738.87 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2684.18
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	18
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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159411687) is 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3[nH]c(-c4cc(I)cnc4N)nc23)CC1.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)NC5CCN(C(=O)OC(C)(C)C)CC5)cccc4[nH]3)c2)cn1.Cn1cc(-c2cnc(N)c(-c3nc4c(C(=O)NC5CCNCC5)cccc4[nH]3)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1cccc(C(=O)O)c1N.Nc1ncc(I)cc1-c1nc2c(C(=O)O)cccc2[nH]1.Nc1ncc(I)cc1C=O.

What is the InChIKey of 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is LOQQUILDIYGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3.C23H27IN6O3.C22H24N8O.C13H9IN4O2.C10H17BN2O2.C10H20N2O2.C7H8N2O2.C6H5IN2O/c1-27(2,3)38-26(37)35-10-8-18(9-11-35)31-25(36)19-6-5-7-21-22(19)33-24(32-21)20-12-16(13-29-23(20)28)17-14-30-34(4)15-17;1-23(2,3)33-22(32)30-9-7-14(8-10-30)27-21(31)15-5-4-6-17-18(15)29-20(28-17)16-11-13(24)12-26-19(16)25;1-30-12-14(11-26-30)13-9-17(20(23)25-10-13)21-28-18-4-2-3-16(19(18)29-21)22(31)27-15-5-7-24-8-6-15;14-6-4-8(11(15)16-5-6)12-17-9-3-1-2-7(13(19)20)10(9)18-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;8-5-3-1-2-4(6(5)9)7(10)11;7-5-1-4(3-10)6(8)9-2-5/h5-7,12-15,18H,8-11H2,1-4H3,(H2,28,29)(H,31,36)(H,32,33);4-6,11-12,14H,7-10H2,1-3H3,(H2,25,26)(H,27,31)(H,28,29);2-4,9-12,15,24H,5-8H2,1H3,(H2,23,25)(H,27,31)(H,28,29);1-5H,(H2,15,16)(H,17,18)(H,19,20);6-7H,1-5H3;8H,4-7,11H2,1-3H3;1-3H,8-9H2,(H,10,11);1-3H,(H2,8,9).

What are the key properties of 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2684.18 g/mol, XLogP of 15.97, 16 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159411687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).