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

C16H12ClFN4O2 — CID 177048081

IUPAC1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(N)=O)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C16H12ClFN4O2/c1-7-5-12-13(20-8(7)2)15(23)14(16(19)24)21-22(12)11-4-3-9(17)6-10(11)18/h3-6H,1-2H3,(H2,19,24)
InChIKeyVKPBTOCMPHMRPB-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.29
Rot. Bonds2

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

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177048081) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
PubChem CID177048081
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(N)=O)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C16H12ClFN4O2/c1-7-5-12-13(20-8(7)2)15(23)14(16(19)24)21-22(12)11-4-3-9(17)6-10(11)18/h3-6H,1-2H3,(H2,19,24)
InChIKeyVKPBTOCMPHMRPB-UHFFFAOYSA-N
XLogP2.29
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (CID 177048081) is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc2c(nc1C)c(=O)c(C(N)=O)nn2-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The InChIKey is VKPBTOCMPHMRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c1-7-5-12-13(20-8(7)2)15(23)14(16(19)24)21-22(12)11-4-3-9(17)6-10(11)18/h3-6H,1-2H3,(H2,19,24).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177048081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).