1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one

C73H63Cl4FN12O6 — CID 177048319

IUPAC1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one
SMILESCOc1cc(/C=C(\C)c2nn(-c3ccc(Cl)cc3C)c3cc(C)c(C)nc3c2=O)ccn1.COc1cc(/C=C(\C)c2nn(-c3ccc(Cl)cc3Cl)c3cc(C)c(C)nc3c2=O)ccn1.COc1cc(/C=C(\F)c2nn(-c3ccc(Cl)cc3C)c3cc(C)c(C)nc3c2=O)ccn1
InChIInChI=1S/C25H23ClN4O2.C24H20Cl2N4O2.C24H20ClFN4O2/c1-14-12-21-24(28-17(14)4)25(31)23(16(3)10-18-8-9-27-22(13-18)32-5)29-30(21)20-7-6-19(26)11-15(20)2;1-13-10-20-23(28-15(13)3)24(31)22(14(2)9-16-7-8-27-21(11-16)32-4)29-30(20)19-6-5-17(25)12-18(19)26;1-13-10-20-23(28-15(13)3)24(31)22(18(26)11-16-7-8-27-21(12-16)32-4)29-30(20)19-6-5-17(25)9-14(19)2/h6-13H,1-5H3;2*5-12H,1-4H3/b16-10+;14-9+;18-11-
InChIKeyYDCIKJHZZAOQGJ-YRYYAYDRSA-N
MW1365.19 g/mol
LogP16.22
Rot. Bonds12

About 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one

1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one (PubChem CID 177048319) has the molecular formula C73H63Cl4FN12O6 and a molecular weight of 1365.19 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one
PubChem CID177048319
Molecular FormulaC73H63Cl4FN12O6
Molecular Weight1365.19 g/mol
Exact Mass1362.37
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one
SMILESCOc1cc(/C=C(\C)c2nn(-c3ccc(Cl)cc3C)c3cc(C)c(C)nc3c2=O)ccn1.COc1cc(/C=C(\C)c2nn(-c3ccc(Cl)cc3Cl)c3cc(C)c(C)nc3c2=O)ccn1.COc1cc(/C=C(\F)c2nn(-c3ccc(Cl)cc3C)c3cc(C)c(C)nc3c2=O)ccn1
InChIInChI=1S/C25H23ClN4O2.C24H20Cl2N4O2.C24H20ClFN4O2/c1-14-12-21-24(28-17(14)4)25(31)23(16(3)10-18-8-9-27-22(13-18)32-5)29-30(21)20-7-6-19(26)11-15(20)2;1-13-10-20-23(28-15(13)3)24(31)22(14(2)9-16-7-8-27-21(11-16)32-4)29-30(20)19-6-5-17(25)12-18(19)26;1-13-10-20-23(28-15(13)3)24(31)22(18(26)11-16-7-8-27-21(12-16)32-4)29-30(20)19-6-5-17(25)9-14(19)2/h6-13H,1-5H3;2*5-12H,1-4H3/b16-10+;14-9+;18-11-
InChIKeyYDCIKJHZZAOQGJ-YRYYAYDRSA-N
XLogP16.22
TPSA209.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.19
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one (CID 177048319) is 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one is COc1cc(/C=C(\C)c2nn(-c3ccc(Cl)cc3C)c3cc(C)c(C)nc3c2=O)ccn1.COc1cc(/C=C(\C)c2nn(-c3ccc(Cl)cc3Cl)c3cc(C)c(C)nc3c2=O)ccn1.COc1cc(/C=C(\F)c2nn(-c3ccc(Cl)cc3C)c3cc(C)c(C)nc3c2=O)ccn1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one?
The InChIKey is YDCIKJHZZAOQGJ-YRYYAYDRSA-N. The full InChI is InChI=1S/C25H23ClN4O2.C24H20Cl2N4O2.C24H20ClFN4O2/c1-14-12-21-24(28-17(14)4)25(31)23(16(3)10-18-8-9-27-22(13-18)32-5)29-30(21)20-7-6-19(26)11-15(20)2;1-13-10-20-23(28-15(13)3)24(31)22(14(2)9-16-7-8-27-21(11-16)32-4)29-30(20)19-6-5-17(25)12-18(19)26;1-13-10-20-23(28-15(13)3)24(31)22(18(26)11-16-7-8-27-21(12-16)32-4)29-30(20)19-6-5-17(25)9-14(19)2/h6-13H,1-5H3;2*5-12H,1-4H3/b16-10+;14-9+;18-11-.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one?
1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one has a molecular weight of 1365.19 g/mol, XLogP of 16.22, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-[(Z)-1-fluoro-2-(2-methoxy-4-pyridinyl)ethenyl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(4-chloro-2-methylphenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one;1-(2,4-dichlorophenyl)-3-[(E)-1-(2-methoxy-4-pyridinyl)prop-1-en-2-yl]-6,7-dimethylpyrido[3,2-c]pyridazin-4-one is sourced from PubChem (CID 177048319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).