1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide

C21H16ClFN6O2 — CID 177047997

IUPAC1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3cc(C)c(C)nc3c2=O)cnn1
InChIInChI=1S/C21H16ClFN6O2/c1-10-6-17-18(25-12(10)3)20(30)19(21(31)26-14-7-11(2)27-24-9-14)28-29(17)16-5-4-13(22)8-15(16)23/h4-9H,1-3H3,(H,26,27,31)
InChIKeyJLSYPBCPSXUFEE-UHFFFAOYSA-N
MW438.85 g/mol
LogP3.54
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177047997) has the molecular formula C21H16ClFN6O2 and a molecular weight of 438.85 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
PubChem CID177047997
Molecular FormulaC21H16ClFN6O2
Molecular Weight438.85 g/mol
Exact Mass438.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3cc(C)c(C)nc3c2=O)cnn1
InChIInChI=1S/C21H16ClFN6O2/c1-10-6-17-18(25-12(10)3)20(30)19(21(31)26-14-7-11(2)27-24-9-14)28-29(17)16-5-4-13(22)8-15(16)23/h4-9H,1-3H3,(H,26,27,31)
InChIKeyJLSYPBCPSXUFEE-UHFFFAOYSA-N
XLogP3.54
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-(6-chloropyridazin-4-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048386
1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177047950
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048081
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
CID 177048327
1-(4-chloro-2-fluorophenyl)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048258
1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048322
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
CID 177048133
1-(4-chloro-2-fluorophenyl)-N-(2-chloro-6-propan-2-yl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048295
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048114
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide
CID 177048189
1-(4-chloro-2-fluorophenyl)-3-(6-fluoro-[1,3]oxazolo[4,5-c]pyridin-2-yl)-6,7-dimethylpyrido[3,2-c]pyridazin-4-one
CID 177048307
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 99696829

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (CID 177047997) is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3cc(C)c(C)nc3c2=O)cnn1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The InChIKey is JLSYPBCPSXUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6O2/c1-10-6-17-18(25-12(10)3)20(30)19(21(31)26-14-7-11(2)27-24-9-14)28-29(17)16-5-4-13(22)8-15(16)23/h4-9H,1-3H3,(H,26,27,31).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 438.85 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177047997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).