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

C110H82F18N28O8S — CID 162084017

IUPAC(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C20H15F3N4O2.C19H13F3N6O.C19H16F3N5O2.C19H14F3N5OS.C19H13F3N4O2.C14H11F3N4/c1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23;20-19(21,22)16-8-7-12(10-23-16)11-28-15-6-2-1-4-13(15)17(27-28)25-18(29)14-5-3-9-24-26-14;1-11(23)14(10-28)18(29)25-17-13-4-2-3-5-15(13)27(26-17)9-12-6-7-16(24-8-12)19(20,21)22;1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22;20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h2-10H,11H2,1H3,(H,25,26,28);1-10H,11H2,(H,25,27,29);2-8,10,23,28H,9H2,1H3,(H,25,26,29);2-8,10H,9H2,1H3,(H,25,26,28);1-9,11H,10H2,(H,24,25,27);1-7H,8H2,(H2,18,20)/b;;14-10+,23-11+;;;
InChIKeyZCSHPCQRAXGDMR-BAJJOLAQSA-N
MW2298.08 g/mol
LogP24.05
Rot. Bonds23

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

(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 162084017) has the molecular formula C110H82F18N28O8S and a molecular weight of 2298.08 g/mol. Its IUPAC name is (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
PubChem CID162084017
Molecular FormulaC110H82F18N28O8S
Molecular Weight2298.08 g/mol
Exact Mass2296.63
IUPAC Name(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C20H15F3N4O2.C19H13F3N6O.C19H16F3N5O2.C19H14F3N5OS.C19H13F3N4O2.C14H11F3N4/c1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23;20-19(21,22)16-8-7-12(10-23-16)11-28-15-6-2-1-4-13(15)17(27-28)25-18(29)14-5-3-9-24-26-14;1-11(23)14(10-28)18(29)25-17-13-4-2-3-5-15(13)27(26-17)9-12-6-7-16(24-8-12)19(20,21)22;1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22;20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h2-10H,11H2,1H3,(H,25,26,28);1-10H,11H2,(H,25,27,29);2-8,10,23,28H,9H2,1H3,(H,25,26,29);2-8,10H,9H2,1H3,(H,25,26,28);1-9,11H,10H2,(H,24,25,27);1-7H,8H2,(H2,18,20)/b;;14-10+,23-11+;;;
InChIKeyZCSHPCQRAXGDMR-BAJJOLAQSA-N
XLogP24.05
TPSA464.81 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002298.08
LogP ≤ 524.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

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'}

Analyze (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 162084017) is (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1.[H]/N=C(C)/C(=C\O)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.
What is the InChIKey of (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is ZCSHPCQRAXGDMR-BAJJOLAQSA-N. The full InChI is InChI=1S/C20H15F3N4O2.C19H13F3N6O.C19H16F3N5O2.C19H14F3N5OS.C19H13F3N4O2.C14H11F3N4/c1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23;20-19(21,22)16-8-7-12(10-23-16)11-28-15-6-2-1-4-13(15)17(27-28)25-18(29)14-5-3-9-24-26-14;1-11(23)14(10-28)18(29)25-17-13-4-2-3-5-15(13)27(26-17)9-12-6-7-16(24-8-12)19(20,21)22;1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22;20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h2-10H,11H2,1H3,(H,25,26,28);1-10H,11H2,(H,25,27,29);2-8,10,23,28H,9H2,1H3,(H,25,26,29);2-8,10H,9H2,1H3,(H,25,26,28);1-9,11H,10H2,(H,24,25,27);1-7H,8H2,(H2,18,20)/b;;14-10+,23-11+;;;.
What are the key properties of (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
(2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 2298.08 g/mol, XLogP of 24.05, 23 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(hydroxymethylidene)-3-imino-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]butanamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 162084017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).