4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide

C116H95N25O8S — CID 161427684

About 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide

4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 161427684) has the molecular formula C116H95N25O8S and a molecular weight of 1999.27 g/mol. Its IUPAC name is 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide
• PubChem CID: 161427684
• Molecular Formula: C116H95N25O8S
• Molecular Weight: 1999.27 g/mol
• Exact Mass: 1997.75
• IUPAC Name: 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide
• SMILES: Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3scnc3C)c3ccccc32)cc1.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.N#Cc1ccc(Cn2nc(N)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1
• InChI: InChI=1S/C21H19N3O2.C20H15N5O2.C20H17N5O.C20H14N4O2.C20H18N4OS.C15H12N4/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;1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15;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;21-11-14-5-7-15(8-6-14)12-24-18-4-2-1-3-17(18)19(23-24)22-20(25)16-9-10-26-13-16;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;16-9-11-5-7-12(8-6-11)10-19-14-4-2-1-3-13(14)15(17)18-19/h3-12H,13H2,1-2H3,(H,22,23,25);2-9,12H,11H2,1H3,(H,22,23,26);2-12H,13H2,1H3,(H,22,24,26);1-10,13H,12H2,(H,22,23,25);3-10,12H,11H2,1-2H3,(H,22,23,25);1-8H,10H2,(H2,17,18)
• InChIKey: VXOWVZJCGCQANR-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 440.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1999.27
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

The IUPAC name of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 161427684) is 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

The canonical SMILES for 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide is Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3scnc3C)c3ccccc32)cc1.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.N#Cc1ccc(Cn2nc(N)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1.

What is the InChIKey of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

The InChIKey is VXOWVZJCGCQANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2.C20H15N5O2.C20H17N5O.C20H14N4O2.C20H18N4OS.C15H12N4/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;1-13-17(12-27-24-13)20(26)22-19-16-4-2-3-5-18(16)25(23-19)11-15-8-6-14(10-21)7-9-15;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;21-11-14-5-7-15(8-6-14)12-24-18-4-2-1-3-17(18)19(23-24)22-20(25)16-9-10-26-13-16;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;16-9-11-5-7-12(8-6-11)10-19-14-4-2-1-3-13(14)15(17)18-19/h3-12H,13H2,1-2H3,(H,22,23,25);2-9,12H,11H2,1H3,(H,22,23,26);2-12H,13H2,1H3,(H,22,24,26);1-10,13H,12H2,(H,22,23,25);3-10,12H,11H2,1-2H3,(H,22,23,25);1-8H,10H2,(H2,17,18).

What are the key properties of 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide?

4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1999.27 g/mol, XLogP of 22.24, 22 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-aminoindazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;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;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 161427684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).