4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile

C154H137Cl3F6N30O10 — CID 158622369

IUPAC4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
SMILESCCCCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCCCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.CCOCCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCOCCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.CCOCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCOCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C26H23ClFN5O2.C26H23ClFN5O.C26H24FN5O2.C26H24FN5O.C25H21ClFN5O2.C25H22FN5O2/c1-2-35-13-5-12-30-25-22(27)14-21(24(28)31-25)23-19-6-3-4-7-20(19)26(34)33(32-23)16-18-10-8-17(15-29)9-11-18;1-2-3-6-13-30-25-22(27)14-21(24(28)31-25)23-19-7-4-5-8-20(19)26(34)33(32-23)16-18-11-9-17(15-29)10-12-18;1-2-34-15-5-14-29-23-13-12-22(25(27)30-23)24-20-6-3-4-7-21(20)26(33)32(31-24)17-19-10-8-18(16-28)9-11-19;1-2-3-6-15-29-23-14-13-22(25(27)30-23)24-20-7-4-5-8-21(20)26(33)32(31-24)17-19-11-9-18(16-28)10-12-19;1-2-34-12-11-29-24-21(26)13-20(23(27)30-24)22-18-5-3-4-6-19(18)25(33)32(31-22)15-17-9-7-16(14-28)8-10-17;1-2-33-14-13-28-22-12-11-21(24(26)29-22)23-19-5-3-4-6-20(19)25(32)31(30-23)16-18-9-7-17(15-27)8-10-18/h3-4,6-11,14H,2,5,12-13,16H2,1H3,(H,30,31);4-5,7-12,14H,2-3,6,13,16H2,1H3,(H,30,31);3-4,6-13H,2,5,14-15,17H2,1H3,(H,29,30);4-5,7-14H,2-3,6,15,17H2,1H3,(H,29,30);3-10,13H,2,11-12,15H2,1H3,(H,29,30);3-12H,2,13-14,16H2,1H3,(H,28,29)
InChIKeyHYDWXHFTFMGCEP-UHFFFAOYSA-N
MW2788.34 g/mol
LogP28.84
Rot. Bonds50

About 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile

4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile (PubChem CID 158622369) has the molecular formula C154H137Cl3F6N30O10 and a molecular weight of 2788.34 g/mol. Its IUPAC name is 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
PubChem CID158622369
Molecular FormulaC154H137Cl3F6N30O10
Molecular Weight2788.34 g/mol
Exact Mass2785.01
IUPAC Name4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
SMILESCCCCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCCCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.CCOCCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCOCCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.CCOCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCOCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C26H23ClFN5O2.C26H23ClFN5O.C26H24FN5O2.C26H24FN5O.C25H21ClFN5O2.C25H22FN5O2/c1-2-35-13-5-12-30-25-22(27)14-21(24(28)31-25)23-19-6-3-4-7-20(19)26(34)33(32-23)16-18-10-8-17(15-29)9-11-18;1-2-3-6-13-30-25-22(27)14-21(24(28)31-25)23-19-7-4-5-8-20(19)26(34)33(32-23)16-18-11-9-17(15-29)10-12-18;1-2-34-15-5-14-29-23-13-12-22(25(27)30-23)24-20-6-3-4-7-21(20)26(33)32(31-24)17-19-10-8-18(16-28)9-11-19;1-2-3-6-15-29-23-14-13-22(25(27)30-23)24-20-7-4-5-8-21(20)26(33)32(31-24)17-19-11-9-18(16-28)10-12-19;1-2-34-12-11-29-24-21(26)13-20(23(27)30-24)22-18-5-3-4-6-19(18)25(33)32(31-22)15-17-9-7-16(14-28)8-10-17;1-2-33-14-13-28-22-12-11-21(24(26)29-22)23-19-5-3-4-6-20(19)25(32)31(30-23)16-18-9-7-17(15-27)8-10-18/h3-4,6-11,14H,2,5,12-13,16H2,1H3,(H,30,31);4-5,7-12,14H,2-3,6,13,16H2,1H3,(H,30,31);3-4,6-13H,2,5,14-15,17H2,1H3,(H,29,30);4-5,7-14H,2-3,6,15,17H2,1H3,(H,29,30);3-10,13H,2,11-12,15H2,1H3,(H,29,30);3-12H,2,13-14,16H2,1H3,(H,28,29)
InChIKeyHYDWXHFTFMGCEP-UHFFFAOYSA-N
XLogP28.84
TPSA538.52 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002788.34
LogP ≤ 528.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-[5-Chloro-2-fluoro-6-(2-methoxyethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 146653544
4-[[4-[5-Chloro-2-fluoro-6-(3-methoxypropylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 146653438
4-[[4-[5-Chloro-6-[2-(2-ethoxyethoxy)ethylamino]-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 146653442
4-[[4-[5-Chloro-2-fluoro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 146653461
4-[[4-[5-Chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 146653468
4-[[4-[5-Chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 146653469
4-[[4-[5-Chloro-2-fluoro-6-(4-hydroxybutylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(3-hydroxypropylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;ethyl 3-[[5-[3-[(4-cyanophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]amino]propanoate;4-[[4-[2-fluoro-6-(4-hydroxybutylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(3-hydroxypropylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;methyl 4-[[3-chloro-5-[3-[(4-cyanophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]amino]butanoate
CID 157080695
4-[6-(Azetidin-1-yl)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;4-[6-(tert-butylamino)-2-fluoro-3-pyridinyl]-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(cyclopropylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethylamino)-3-pyridinyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one
CID 157081853
2-chloro-5-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-2-(4-methylphenyl)-1-phenylprop-2-en-1-one;5-(4-methylphenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carbonitrile;5-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-(4-methylphenyl)-1-phenylethanone;4-[5-(4-methylphenyl)-6-phenyl-2-pyridinyl]morpholine
CID 157284315
4-[[4-(6-amino-2-fluoro-3-pyridinyl)-1-oxophthalazin-2-yl]methyl]benzonitrile;N-[5-[3-[(4-cyanophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]acetamide;4-[[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-(2-fluoro-6-methyl-3-pyridinyl)-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 157336117
4-[[4-[5-Chloro-6-(2,3-dihydroxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(2-hydroxyethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(2-hydroxyethylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 157601149
4-[[4-(6-amino-2-fluoro-3-pyridinyl)-1-oxophthalazin-2-yl]methyl]benzonitrile;N-[5-[3-[(4-cyanophenyl)methyl]-4-oxophthalazin-1-yl]-6-fluoro-2-pyridinyl]acetamide;4-[[4-(2,6-difluoro-3-pyridinyl)-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(dimethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(methylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-(2-fluoro-6-methyl-3-pyridinyl)-1-oxophthalazin-2-yl]methyl]benzonitrile
CID 157674987

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile (CID 158622369) is 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile is CCCCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCCCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.CCOCCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCOCCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.CCOCCNc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)c(F)n1.CCOCCNc1nc(F)c(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3ccccc23)cc1Cl.
What is the InChIKey of 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile?
The InChIKey is HYDWXHFTFMGCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2.C26H23ClFN5O.C26H24FN5O2.C26H24FN5O.C25H21ClFN5O2.C25H22FN5O2/c1-2-35-13-5-12-30-25-22(27)14-21(24(28)31-25)23-19-6-3-4-7-20(19)26(34)33(32-23)16-18-10-8-17(15-29)9-11-18;1-2-3-6-13-30-25-22(27)14-21(24(28)31-25)23-19-7-4-5-8-20(19)26(34)33(32-23)16-18-11-9-17(15-29)10-12-18;1-2-34-15-5-14-29-23-13-12-22(25(27)30-23)24-20-6-3-4-7-21(20)26(33)32(31-24)17-19-10-8-18(16-28)9-11-19;1-2-3-6-15-29-23-14-13-22(25(27)30-23)24-20-7-4-5-8-21(20)26(33)32(31-24)17-19-11-9-18(16-28)10-12-19;1-2-34-12-11-29-24-21(26)13-20(23(27)30-24)22-18-5-3-4-6-19(18)25(33)32(31-22)15-17-9-7-16(14-28)8-10-17;1-2-33-14-13-28-22-12-11-21(24(26)29-22)23-19-5-3-4-6-20(19)25(32)31(30-23)16-18-9-7-17(15-27)8-10-18/h3-4,6-11,14H,2,5,12-13,16H2,1H3,(H,30,31);4-5,7-12,14H,2-3,6,13,16H2,1H3,(H,30,31);3-4,6-13H,2,5,14-15,17H2,1H3,(H,29,30);4-5,7-14H,2-3,6,15,17H2,1H3,(H,29,30);3-10,13H,2,11-12,15H2,1H3,(H,29,30);3-12H,2,13-14,16H2,1H3,(H,28,29).
What are the key properties of 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile?
4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile has a molecular weight of 2788.34 g/mol, XLogP of 28.84, 50 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-chloro-6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[5-chloro-2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(2-ethoxyethylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[6-(3-ethoxypropylamino)-2-fluoro-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile;4-[[4-[2-fluoro-6-(pentylamino)-3-pyridinyl]-1-oxophthalazin-2-yl]methyl]benzonitrile is sourced from PubChem (CID 158622369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).