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

C20H16ClFN6O2 — CID 177048114

IUPAC1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)Nc1cn(C)cn1)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C20H16ClFN6O2/c1-10-6-15-17(24-11(10)2)19(29)18(20(30)25-16-8-27(3)9-23-16)26-28(15)14-5-4-12(21)7-13(14)22/h4-9H,1-3H3,(H,25,30)
InChIKeySYNWHXIRSAGPEK-UHFFFAOYSA-N
MW426.84 g/mol
LogP3.18
Rot. Bonds3

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

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177048114) has the molecular formula C20H16ClFN6O2 and a molecular weight of 426.84 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
PubChem CID177048114
Molecular FormulaC20H16ClFN6O2
Molecular Weight426.84 g/mol
Exact Mass426.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)Nc1cn(C)cn1)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C20H16ClFN6O2/c1-10-6-15-17(24-11(10)2)19(29)18(20(30)25-16-8-27(3)9-23-16)26-28(15)14-5-4-12(21)7-13(14)22/h4-9H,1-3H3,(H,25,30)
InChIKeySYNWHXIRSAGPEK-UHFFFAOYSA-N
XLogP3.18
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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)-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)-N-(4-fluoro-3-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048258
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)-6,7-dimethyl-N-(6-methylpyridazin-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177047997
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-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
CID 177048327
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-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (CID 177048114) is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-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-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1cn(C)cn1)nn2-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The InChIKey is SYNWHXIRSAGPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O2/c1-10-6-15-17(24-11(10)2)19(29)18(20(30)25-16-8-27(3)9-23-16)26-28(15)14-5-4-12(21)7-13(14)22/h4-9H,1-3H3,(H,25,30).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-N-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 426.84 g/mol, XLogP of 3.18, 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-(1-methylimidazol-4-yl)-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177048114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).