3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

C43H26F6N14O4 — CID 160602151

IUPAC3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4cccc(C#N)c4)nn3)n2)cn1.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4ccc(=O)[nH]c4)cc3C(F)(F)F)nn2)c1
InChIInChI=1S/C22H14F3N7O2.C21H12F3N7O2/c1-34-20-8-5-15(12-27-20)16-10-17(22(23,24)25)32(31-16)19-7-6-18(29-30-19)28-21(33)14-4-2-3-13(9-14)11-26;22-21(23,24)16-9-15(14-4-7-19(32)26-11-14)30-31(16)18-6-5-17(28-29-18)27-20(33)13-3-1-2-12(8-13)10-25/h2-10,12H,1H3,(H,28,29,33);1-9,11H,(H,26,32)(H,27,28,33)
InChIKeyREKMCIWNJLZVQL-UHFFFAOYSA-N
MW916.76 g/mol
LogP7.04
Rot. Bonds9

About 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (PubChem CID 160602151) has the molecular formula C43H26F6N14O4 and a molecular weight of 916.76 g/mol. Its IUPAC name is 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
PubChem CID160602151
Molecular FormulaC43H26F6N14O4
Molecular Weight916.76 g/mol
Exact Mass916.22
IUPAC Name3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4cccc(C#N)c4)nn3)n2)cn1.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4ccc(=O)[nH]c4)cc3C(F)(F)F)nn2)c1
InChIInChI=1S/C22H14F3N7O2.C21H12F3N7O2/c1-34-20-8-5-15(12-27-20)16-10-17(22(23,24)25)32(31-16)19-7-6-18(29-30-19)28-21(33)14-4-2-3-13(9-14)11-26;22-21(23,24)16-9-15(14-4-7-19(32)26-11-14)30-31(16)18-6-5-17(28-29-18)27-20(33)13-3-1-2-12(8-13)10-25/h2-10,12H,1H3,(H,28,29,33);1-9,11H,(H,26,32)(H,27,28,33)
InChIKeyREKMCIWNJLZVQL-UHFFFAOYSA-N
XLogP7.04
TPSA247.96 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.76
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]-N-[1-piperazin-1-yl-2-(trifluoromethyl)pyridin-1-ium-4-yl]benzamide
CID 20597338
tert-butyl 4-[4-[[3-[2-[3-[(6-methoxy-3-pyridinyl)amino]-1H-pyrazol-5-yl]ethyl]benzoyl]amino]-2-(trifluoromethyl)pyridin-1-ium-1-yl]piperazine-1-carboxylate
CID 20597763
N-[6-[3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 57861395
3-(6-Fluoro-pyridin-3-yl)-N-{6-[3-(6-methoxy-pyridin-3-yl)-5-trifluoromethyl-pyrazol-1-yl]-pyridazin-3-yl}-benzamide
CID 57861436
3-cyano-N-{6-[3-(6-methoxy-pyridin-3-yl)-5-trifluoromethyl-pyrazol-1-yl]-pyridazin-3-yl}-benzamide
CID 57861506
4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861613
3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861637
3-(6-methoxy-pyridin-3-yl)-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridazin-3-yl]-benzamide
CID 57861641
Methyl 3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoate
CID 57861684
3-Bromo-N-{6-[3-(6-methoxy-pyridin-3-yl)-5-trifluoromethyl-pyrazol-1-yl]-pyridazin-3-yl}-benzamide
CID 57861732
3-(3-methoxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861756
3-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861908

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (CID 160602151) is 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is COc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4cccc(C#N)c4)nn3)n2)cn1.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4ccc(=O)[nH]c4)cc3C(F)(F)F)nn2)c1.
What is the InChIKey of 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?
The InChIKey is REKMCIWNJLZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N7O2.C21H12F3N7O2/c1-34-20-8-5-15(12-27-20)16-10-17(22(23,24)25)32(31-16)19-7-6-18(29-30-19)28-21(33)14-4-2-3-13(9-14)11-26;22-21(23,24)16-9-15(14-4-7-19(32)26-11-14)30-31(16)18-6-5-17(28-29-18)27-20(33)13-3-1-2-12(8-13)10-25/h2-10,12H,1H3,(H,28,29,33);1-9,11H,(H,26,32)(H,27,28,33).
What are the key properties of 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?
3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide has a molecular weight of 916.76 g/mol, XLogP of 7.04, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is sourced from PubChem (CID 160602151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).