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

C23H19ClFN5O2 — CID 177047950

IUPAC1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3cc(C)c(C)nc3c2=O)cc(C)n1
InChIInChI=1S/C23H19ClFN5O2/c1-11-7-19-20(27-14(11)4)22(31)21(23(32)28-16-8-12(2)26-13(3)9-16)29-30(19)18-6-5-15(24)10-17(18)25/h5-10H,1-4H3,(H,26,28,32)
InChIKeyZKWCUAONRFEMND-UHFFFAOYSA-N
MW451.89 g/mol
LogP4.45
Rot. Bonds3

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

1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177047950) has the molecular formula C23H19ClFN5O2 and a molecular weight of 451.89 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
PubChem CID177047950
Molecular FormulaC23H19ClFN5O2
Molecular Weight451.89 g/mol
Exact Mass451.12
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3cc(C)c(C)nc3c2=O)cc(C)n1
InChIInChI=1S/C23H19ClFN5O2/c1-11-7-19-20(27-14(11)4)22(31)21(23(32)28-16-8-12(2)26-13(3)9-16)29-30(19)18-6-5-15(24)10-17(18)25/h5-10H,1-4H3,(H,26,28,32)
InChIKeyZKWCUAONRFEMND-UHFFFAOYSA-N
XLogP4.45
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (CID 177047950) is 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3F)c3cc(C)c(C)nc3c2=O)cc(C)n1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
The InChIKey is ZKWCUAONRFEMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O2/c1-11-7-19-20(27-14(11)4)22(31)21(23(32)28-16-8-12(2)26-13(3)9-16)29-30(19)18-6-5-15(24)10-17(18)25/h5-10H,1-4H3,(H,26,28,32).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 451.89 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177047950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).