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

C101H66F15N29O8S — CID 158222832

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

N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 158222832) has the molecular formula C101H66F15N29O8S and a molecular weight of 2130.87 g/mol. Its IUPAC name is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
• PubChem CID: 158222832
• Molecular Formula: C101H66F15N29O8S
• Molecular Weight: 2130.87 g/mol
• Exact Mass: 2129.51
• IUPAC Name: N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
• SMILES: Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.N#Cc1ccc2c(c1)c(NC(=O)c1cccnn1)nn2Cc1ccc(C(F)(F)F)nc1.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12
• InChI: InChI=1S/C21H14F3N5O2.C20H12F3N7O.C20H15F3N6O2.C20H13F3N6OS.C20H12F3N5O2/c1-12-15(6-7-31-12)20(30)27-19-16-8-13(9-25)2-4-17(16)29(28-19)11-14-3-5-18(26-10-14)21(22,23)24;21-20(22,23)17-6-4-13(10-25-17)11-30-16-5-3-12(9-24)8-14(16)18(29-30)27-19(31)15-2-1-7-26-28-15;1-11(25)15(10-30)19(31)27-18-14-6-12(7-24)2-4-16(14)29(28-18)9-13-3-5-17(26-8-13)20(21,22)23;1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23;21-20(22,23)17-4-2-13(9-25-17)10-28-16-3-1-12(8-24)7-15(16)18(27-28)26-19(29)14-5-6-30-11-14/h2-8,10H,11H2,1H3,(H,27,28,30);1-8,10H,11H2,(H,27,29,31);2-6,8,10,25,30H,9H2,1H3,(H,27,28,31);2-6,8,10H,9H2,1H3,(H,27,28,30);1-7,9,11H,10H2,(H,26,27,29)/b;;15-10+,25-11+
• InChIKey: GDLIVCMAQXIVLX-JFRYTAIDSA-N
• XLogP: 20.33
• TPSA: 527.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.87
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

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

The IUPAC name of N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 158222832) is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

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

The canonical SMILES for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.N#Cc1ccc2c(c1)c(NC(=O)c1cccnn1)nn2Cc1ccc(C(F)(F)F)nc1.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.

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

The InChIKey is GDLIVCMAQXIVLX-JFRYTAIDSA-N. The full InChI is InChI=1S/C21H14F3N5O2.C20H12F3N7O.C20H15F3N6O2.C20H13F3N6OS.C20H12F3N5O2/c1-12-15(6-7-31-12)20(30)27-19-16-8-13(9-25)2-4-17(16)29(28-19)11-14-3-5-18(26-10-14)21(22,23)24;21-20(22,23)17-6-4-13(10-25-17)11-30-16-5-3-12(9-24)8-14(16)18(29-30)27-19(31)15-2-1-7-26-28-15;1-11(25)15(10-30)19(31)27-18-14-6-12(7-24)2-4-16(14)29(28-18)9-13-3-5-17(26-8-13)20(21,22)23;1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23;21-20(22,23)17-4-2-13(9-25-17)10-28-16-3-1-12(8-24)7-15(16)18(27-28)26-19(29)14-5-6-30-11-14/h2-8,10H,11H2,1H3,(H,27,28,30);1-8,10H,11H2,(H,27,29,31);2-6,8,10,25,30H,9H2,1H3,(H,27,28,31);2-6,8,10H,9H2,1H3,(H,27,28,30);1-7,9,11H,10H2,(H,26,27,29)/b;;15-10+,25-11+;;.

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

N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 2130.87 g/mol, XLogP of 20.33, 21 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;(2E)-N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-(hydroxymethylidene)-3-iminobutanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 158222832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).