1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide

C22H14ClF4N5O2 — CID 177048327

IUPAC1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)Nc1cncc(C(F)(F)F)c1)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C22H14ClF4N5O2/c1-10-5-17-18(29-11(10)2)20(33)19(31-32(17)16-4-3-13(23)7-15(16)24)21(34)30-14-6-12(8-28-9-14)22(25,26)27/h3-9H,1-2H3,(H,30,34)
InChIKeyTZGQKZHDMKGNPV-UHFFFAOYSA-N
MW491.83 g/mol
LogP4.86
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177048327) has the molecular formula C22H14ClF4N5O2 and a molecular weight of 491.83 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
PubChem CID177048327
Molecular FormulaC22H14ClF4N5O2
Molecular Weight491.83 g/mol
Exact Mass491.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
SMILESCc1cc2c(nc1C)c(=O)c(C(=O)Nc1cncc(C(F)(F)F)c1)nn2-c1ccc(Cl)cc1F
InChIInChI=1S/C22H14ClF4N5O2/c1-10-5-17-18(29-11(10)2)20(33)19(31-32(17)16-4-3-13(23)7-15(16)24)21(34)30-14-6-12(8-28-9-14)22(25,26)27/h3-9H,1-2H3,(H,30,34)
InChIKeyTZGQKZHDMKGNPV-UHFFFAOYSA-N
XLogP4.86
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2,6-dimethyl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177047950
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)-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-oxopyrido[3,2-c]pyridazine-3-carboxamide
CID 177048081
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
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide (CID 177048327) is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1cncc(C(F)(F)F)c1)nn2-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide?
The InChIKey is TZGQKZHDMKGNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N5O2/c1-10-5-17-18(29-11(10)2)20(33)19(31-32(17)16-4-3-13(23)7-15(16)24)21(34)30-14-6-12(8-28-9-14)22(25,26)27/h3-9H,1-2H3,(H,30,34).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 491.83 g/mol, XLogP of 4.86, 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)-6,7-dimethyl-4-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177048327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).