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

C22H14ClF4N5O2 — CID 177048133

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

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177048133) 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-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
• PubChem CID: 177048133
• Molecular Formula: C22H14ClF4N5O2
• Molecular Weight: 491.83 g/mol
• Exact Mass: 491.08
• IUPAC Name: 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide
• SMILES: Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1ccc(C(F)(F)F)nc1)nn2-c1ccc(Cl)cc1F
• InChI: InChI=1S/C22H14ClF4N5O2/c1-10-7-16-18(29-11(10)2)20(33)19(31-32(16)15-5-3-12(23)8-14(15)24)21(34)30-13-4-6-17(28-9-13)22(25,26)27/h3-9H,1-2H3,(H,30,34)
• InChIKey: SJIORYNVPYVEGQ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.83
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(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-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide (CID 177048133) is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(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-[6-(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-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1ccc(C(F)(F)F)nc1)nn2-c1ccc(Cl)cc1F.

What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide?

The InChIKey is SJIORYNVPYVEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N5O2/c1-10-7-16-18(29-11(10)2)20(33)19(31-32(16)15-5-3-12(23)8-14(15)24)21(34)30-13-4-6-17(28-9-13)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-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide?

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[6-(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-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177048133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).