4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one

C121H84Cl7F2N19O7 — CID 161358186

IUPAC4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one
SMILESCOc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.Nc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cn1.O=c1c2ccccc2c(-c2cccnc2)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2cccnc2Cl)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2cccnc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccncc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClFN3O2.C20H13Cl2N3O.C20H13ClFN3O.C20H15ClN4O.2C20H14ClN3O/c1-28-18-11-10-17(20(23)24-18)19-15-4-2-3-5-16(15)21(27)26(25-19)12-13-6-8-14(22)9-7-13;2*21-14-9-7-13(8-10-14)12-25-20(26)16-5-2-1-4-15(16)18(24-25)17-6-3-11-23-19(17)22;21-15-8-5-13(6-9-15)12-25-20(26)17-4-2-1-3-16(17)19(24-25)14-7-10-18(22)23-11-14;21-16-9-7-14(8-10-16)13-24-20(25)18-6-2-1-5-17(18)19(23-24)15-4-3-11-22-12-15;21-16-7-5-14(6-8-16)13-24-20(25)18-4-2-1-3-17(18)19(23-24)15-9-11-22-12-10-15/h2-11H,12H2,1H3;2*1-11H,12H2;1-11H,12H2,(H2,22,23);2*1-12H,13H2
InChIKeyVOUYLIRRJJCZTB-UHFFFAOYSA-N
MW2202.30 g/mol
LogP25.48
Rot. Bonds19

About 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one

4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one (PubChem CID 161358186) has the molecular formula C121H84Cl7F2N19O7 and a molecular weight of 2202.30 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one
PubChem CID161358186
Molecular FormulaC121H84Cl7F2N19O7
Molecular Weight2202.30 g/mol
Exact Mass2197.46
IUPAC Name4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one
SMILESCOc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.Nc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cn1.O=c1c2ccccc2c(-c2cccnc2)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2cccnc2Cl)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2cccnc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccncc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClFN3O2.C20H13Cl2N3O.C20H13ClFN3O.C20H15ClN4O.2C20H14ClN3O/c1-28-18-11-10-17(20(23)24-18)19-15-4-2-3-5-16(15)21(27)26(25-19)12-13-6-8-14(22)9-7-13;2*21-14-9-7-13(8-10-14)12-25-20(26)16-5-2-1-4-15(16)18(24-25)17-6-3-11-23-19(17)22;21-15-8-5-13(6-9-15)12-25-20(26)17-4-2-1-3-16(17)19(24-25)14-7-10-18(22)23-11-14;21-16-9-7-14(8-10-16)13-24-20(25)18-6-2-1-5-17(18)19(23-24)15-4-3-11-22-12-15;21-16-7-5-14(6-8-16)13-24-20(25)18-4-2-1-3-17(18)19(23-24)15-9-11-22-12-10-15/h2-11H,12H2,1H3;2*1-11H,12H2;1-11H,12H2,(H2,22,23);2*1-12H,13H2
InChIKeyVOUYLIRRJJCZTB-UHFFFAOYSA-N
XLogP25.48
TPSA321.93 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002202.30
LogP ≤ 525.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one 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

4-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155596
1-[5-chloro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-3-[1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperidin-4-yl]urea
CID 171063676
4-[[3-[4-[2-[[5-chloro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 175530363
4-(6-Amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one
CID 157214051
N-[6-amino-5-(3-chloro-4-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dichlorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-fluoro-2,5-dimethylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methylphenyl)-2-pyridinyl]-4-methylbenzamide
CID 157508702
4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 157958376
4-[6-(Azetidin-1-yl)-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-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(oxetan-3-ylamino)-3-pyridinyl]phthalazin-1-one
CID 158238276
bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide
CID 158435026
2-Chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 159225805
4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;4-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 159626912
2-Chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 159703731
bis(4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide);bis(1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide)
CID 159772197

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one?
The IUPAC name of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one (CID 161358186) is 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one is COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(F)n1.Nc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cn1.O=c1c2ccccc2c(-c2cccnc2)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2cccnc2Cl)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2cccnc2F)nn1Cc1ccc(Cl)cc1.O=c1c2ccccc2c(-c2ccncc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one?
The InChIKey is VOUYLIRRJJCZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2.C20H13Cl2N3O.C20H13ClFN3O.C20H15ClN4O.2C20H14ClN3O/c1-28-18-11-10-17(20(23)24-18)19-15-4-2-3-5-16(15)21(27)26(25-19)12-13-6-8-14(22)9-7-13;2*21-14-9-7-13(8-10-14)12-25-20(26)16-5-2-1-4-15(16)18(24-25)17-6-3-11-23-19(17)22;21-15-8-5-13(6-9-15)12-25-20(26)17-4-2-1-3-16(17)19(24-25)14-7-10-18(22)23-11-14;21-16-9-7-14(8-10-16)13-24-20(25)18-6-2-1-5-17(18)19(23-24)15-4-3-11-22-12-15;21-16-7-5-14(6-8-16)13-24-20(25)18-4-2-1-3-17(18)19(23-24)15-9-11-22-12-10-15/h2-11H,12H2,1H3;2*1-11H,12H2;1-11H,12H2,(H2,22,23);2*1-12H,13H2.
What are the key properties of 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one?
4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one has a molecular weight of 2202.30 g/mol, XLogP of 25.48, 19 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-2-[(4-chlorophenyl)methyl]phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-chloro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-6-methoxy-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-(2-fluoro-3-pyridinyl)phthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-3-ylphthalazin-1-one;2-[(4-chlorophenyl)methyl]-4-pyridin-4-ylphthalazin-1-one is sourced from PubChem (CID 161358186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).