4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide

C150H134N30O10S — CID 157451080

About 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide

4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 157451080) has the molecular formula C150H134N30O10S and a molecular weight of 2548.99 g/mol. Its IUPAC name is 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide
• PubChem CID: 157451080
• Molecular Formula: C150H134N30O10S
• Molecular Weight: 2548.99 g/mol
• Exact Mass: 2547.06
• IUPAC Name: 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide
• SMILES: Cc1ccc(Cn2nc(N)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3scnc3C)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(N)c3ccccc32)cc1.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C)cc2)c2ccccc12
• InChI: InChI=1S/C21H19N3O2.C20H17N5O.C20H20N4O2.C20H18N4OS.C20H17N3O2.C19H16N4O2.C15H12N4.C15H15N3/c1-14-7-9-16(10-8-14)13-24-19-6-4-3-5-18(19)20(23-24)22-21(25)17-11-12-26-15(17)2;1-14-8-10-15(11-9-14)13-25-18-7-3-2-5-16(18)19(24-25)22-20(26)17-6-4-12-21-23-17;1-13-7-9-15(10-8-13)11-24-18-6-4-3-5-16(18)19(23-24)22-20(26)17(12-25)14(2)21;1-13-7-9-15(10-8-13)11-24-17-6-4-3-5-16(17)19(23-24)22-20(25)18-14(2)21-12-26-18;1-14-6-8-15(9-7-14)12-23-18-5-3-2-4-17(18)19(22-23)21-20(24)16-10-11-25-13-16;1-13-6-8-14(9-7-13)12-23-16-5-3-2-4-15(16)18(22-23)21-19(24)17-10-11-20-25-17;16-9-11-5-7-12(8-6-11)10-19-14-4-2-1-3-13(14)15(17)18-19;1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17-18/h3-12H,13H2,1-2H3,(H,22,23,25);2-12H,13H2,1H3,(H,22,24,26);3-10,12,21,25H,11H2,1-2H3,(H,22,23,26);3-10,12H,11H2,1-2H3,(H,22,23,25);2-11,13H,12H2,1H3,(H,21,22,24);2-11H,12H2,1H3,(H,21,22,24);1-8H,10H2,(H2,17,18);2-9H,10H2,1H3,(H2,16,17)/b;;17-12+,21-14+
• InChIKey: BSUTVARPXLIUHH-QAQIKBEDSA-N
• XLogP: 29.59
• TPSA: 528.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2548.99
LogP ≤ 5	29.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

The IUPAC name of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 157451080) is 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

The canonical SMILES for 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide is Cc1ccc(Cn2nc(N)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3scnc3C)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(N)c3ccccc32)cc1.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C)cc2)c2ccccc12.

What is the InChIKey of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

The InChIKey is BSUTVARPXLIUHH-QAQIKBEDSA-N. The full InChI is InChI=1S/C21H19N3O2.C20H17N5O.C20H20N4O2.C20H18N4OS.C20H17N3O2.C19H16N4O2.C15H12N4.C15H15N3/c1-14-7-9-16(10-8-14)13-24-19-6-4-3-5-18(19)20(23-24)22-21(25)17-11-12-26-15(17)2;1-14-8-10-15(11-9-14)13-25-18-7-3-2-5-16(18)19(24-25)22-20(26)17-6-4-12-21-23-17;1-13-7-9-15(10-8-13)11-24-18-6-4-3-5-16(18)19(23-24)22-20(26)17(12-25)14(2)21;1-13-7-9-15(10-8-13)11-24-17-6-4-3-5-16(17)19(23-24)22-20(25)18-14(2)21-12-26-18;1-14-6-8-15(9-7-14)12-23-18-5-3-2-4-17(18)19(22-23)21-20(24)16-10-11-25-13-16;1-13-6-8-14(9-7-13)12-23-16-5-3-2-4-15(16)18(22-23)21-19(24)17-10-11-20-25-17;16-9-11-5-7-12(8-6-11)10-19-14-4-2-1-3-13(14)15(17)18-19;1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17-18/h3-12H,13H2,1-2H3,(H,22,23,25);2-12H,13H2,1H3,(H,22,24,26);3-10,12,21,25H,11H2,1-2H3,(H,22,23,26);3-10,12H,11H2,1-2H3,(H,22,23,25);2-11,13H,12H2,1H3,(H,21,22,24);2-11H,12H2,1H3,(H,21,22,24);1-8H,10H2,(H2,17,18);2-9H,10H2,1H3,(H2,16,17)/b;;17-12+,21-14+;;;;;.

What are the key properties of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 2548.99 g/mol, XLogP of 29.59, 29 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 157451080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).