1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide

C20H13Cl2FN6O2 — CID 177048322

About 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide

1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 177048322) has the molecular formula C20H13Cl2FN6O2 and a molecular weight of 459.27 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
• PubChem CID: 177048322
• Molecular Formula: C20H13Cl2FN6O2
• Molecular Weight: 459.27 g/mol
• Exact Mass: 458.05
• IUPAC Name: 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide
• SMILES: Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1cnc(Cl)cn1)nn2-c1ccc(Cl)cc1F
• InChI: InChI=1S/C20H13Cl2FN6O2/c1-9-5-14-17(26-10(9)2)19(30)18(20(31)27-16-8-24-15(22)7-25-16)28-29(14)13-4-3-11(21)6-12(13)23/h3-8H,1-2H3,(H,25,27,31)
• InChIKey: HXOKKQGMTSRRMT-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 102.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.27
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?

The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide (CID 177048322) is 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide.

What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?

The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1cnc(Cl)cn1)nn2-c1ccc(Cl)cc1F.

What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?

The InChIKey is HXOKKQGMTSRRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN6O2/c1-9-5-14-17(26-10(9)2)19(30)18(20(31)27-16-8-24-15(22)7-25-16)28-29(14)13-4-3-11(21)6-12(13)23/h3-8H,1-2H3,(H,25,27,31).

What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide?

1-(4-chloro-2-fluorophenyl)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 459.27 g/mol, XLogP of 3.89, 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)-N-(5-chloropyrazin-2-yl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177048322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).