N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine

C134H100F3N33O10S — CID 157117261

About N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine

N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine (PubChem CID 157117261) has the molecular formula C134H100F3N33O10S and a molecular weight of 2421.56 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine.

Molecular Properties

• Compound Name: N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
• PubChem CID: 157117261
• Molecular Formula: C134H100F3N33O10S
• Molecular Weight: 2421.56 g/mol
• Exact Mass: 2419.80
• IUPAC Name: N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
• SMILES: Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(NC(=O)c3ccno3)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12
• InChI: InChI=1S/C21H16N4O2.C20H14N6O.C20H17N5O2.C20H15N5OS.C20H14N4O2.C19H13N5O2.C14H11F3N4/c1-14-17(10-11-27-14)21(26)23-20-18-4-2-3-5-19(18)25(24-20)13-16-8-6-15(12-22)7-9-16;21-12-14-7-9-15(10-8-14)13-26-18-6-2-1-4-16(18)19(25-26)23-20(27)17-5-3-11-22-24-17;1-13(22)17(12-26)20(27)23-19-16-4-2-3-5-18(16)25(24-19)11-15-8-6-14(10-21)7-9-15;1-13-18(27-12-22-13)20(26)23-19-16-4-2-3-5-17(16)25(24-19)11-15-8-6-14(10-21)7-9-15;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;20-11-13-5-7-14(8-6-13)12-24-16-4-2-1-3-15(16)18(23-24)22-19(25)17-9-10-21-26-17;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h2-11H,13H2,1H3,(H,23,24,26);1-11H,13H2,(H,23,25,27);2-9,12,22,26H,11H2,1H3,(H,23,24,27);2-9,12H,11H2,1H3,(H,23,24,26);1-10,13H,12H2,(H,22,23,25);1-10H,12H2,(H,22,23,25);1-7H,8H2,(H2,18,20)/b;;17-12+,22-13+
• InChIKey: AHNZUPCTYLDFKC-RMMKOAKZSA-N
• XLogP: 24.54
• TPSA: 616.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.56
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

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 N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?

The IUPAC name of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine (CID 157117261) is N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine.

What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?

The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(NC(=O)c3ccno3)c3ccccc32)cc1.N#Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C#N)cc2)c2ccccc12.

What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?

The InChIKey is AHNZUPCTYLDFKC-RMMKOAKZSA-N. The full InChI is InChI=1S/C21H16N4O2.C20H14N6O.C20H17N5O2.C20H15N5OS.C20H14N4O2.C19H13N5O2.C14H11F3N4/c1-14-17(10-11-27-14)21(26)23-20-18-4-2-3-5-19(18)25(24-20)13-16-8-6-15(12-22)7-9-16;21-12-14-7-9-15(10-8-14)13-26-18-6-2-1-4-16(18)19(25-26)23-20(27)17-5-3-11-22-24-17;1-13(22)17(12-26)20(27)23-19-16-4-2-3-5-18(16)25(24-19)11-15-8-6-14(10-21)7-9-15;1-13-18(27-12-22-13)20(26)23-19-16-4-2-3-5-17(16)25(24-19)11-15-8-6-14(10-21)7-9-15;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;20-11-13-5-7-14(8-6-13)12-24-16-4-2-1-3-15(16)18(23-24)22-19(25)17-9-10-21-26-17;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h2-11H,13H2,1H3,(H,23,24,26);1-11H,13H2,(H,23,25,27);2-9,12,22,26H,11H2,1H3,(H,23,24,27);2-9,12H,11H2,1H3,(H,23,24,26);1-10,13H,12H2,(H,22,23,25);1-10H,12H2,(H,22,23,25);1-7H,8H2,(H2,18,20)/b;;17-12+,22-13+;;;;.

What are the key properties of N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?

N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine has a molecular weight of 2421.56 g/mol, XLogP of 24.54, 27 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine is sourced from PubChem (CID 157117261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).