N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide

C92H69F12N23O7 — CID 161484900

IUPACN-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.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.C20H14N6O.C19H16F3N5O2.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;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;1-11(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;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);1-11H,13H2,(H,23,25,27);2-8,10,23,28H,9H2,1H3,(H,25,26,29);1-9,11H,10H2,(H,24,25,27);1-7H,8H2,(H2,18,20)/b;;14-10+,23-11+;;
InChIKeyWEVSTVDAGUNZQF-LRTICNMBSA-N
MW1836.69 g/mol
LogP18.99
Rot. Bonds19

About N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide

N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 161484900) has the molecular formula C92H69F12N23O7 and a molecular weight of 1836.69 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID161484900
Molecular FormulaC92H69F12N23O7
Molecular Weight1836.69 g/mol
Exact Mass1835.56
IUPAC NameN-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.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.C20H14N6O.C19H16F3N5O2.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;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;1-11(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;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);1-11H,13H2,(H,23,25,27);2-8,10,23,28H,9H2,1H3,(H,25,26,29);1-9,11H,10H2,(H,24,25,27);1-7H,8H2,(H2,18,20)/b;;14-10+,23-11+;;
InChIKeyWEVSTVDAGUNZQF-LRTICNMBSA-N
XLogP18.99
TPSA403.01 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001836.69
LogP ≤ 518.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

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 N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 161484900) is N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.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 N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is WEVSTVDAGUNZQF-LRTICNMBSA-N. The full InChI is InChI=1S/C20H15F3N4O2.C20H14N6O.C19H16F3N5O2.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;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;1-11(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;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);1-11H,13H2,(H,23,25,27);2-8,10,23,28H,9H2,1H3,(H,25,26,29);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 N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 1836.69 g/mol, XLogP of 18.99, 19 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)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;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 161484900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).