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

C24H20Cl2FN5O2 — CID 177048295

About 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

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 (PubChem CID 177048295) has the molecular formula C24H20Cl2FN5O2 and a molecular weight of 500.36 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177048295
• Molecular Formula: C24H20Cl2FN5O2
• Molecular Weight: 500.36 g/mol
• Exact Mass: 499.10
• IUPAC Name: 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
• SMILES: Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1cc(Cl)nc(C(C)C)c1)nn2-c1ccc(Cl)cc1F
• InChI: InChI=1S/C24H20Cl2FN5O2/c1-11(2)17-9-15(10-20(26)30-17)29-24(34)22-23(33)21-19(7-12(3)13(4)28-21)32(31-22)18-6-5-14(25)8-16(18)27/h5-11H,1-4H3,(H,29,30,34)
• InChIKey: ZKHJSTRHEBHZTH-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.36
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc2c(nc1C)c(=O)c(C(=O)Nc1cc(Cl)nc(C(C)C)c1)nn2-c1ccc(Cl)cc1F.

What is the InChIKey of 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?

The InChIKey is ZKHJSTRHEBHZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O2/c1-11(2)17-9-15(10-20(26)30-17)29-24(34)22-23(33)21-19(7-12(3)13(4)28-21)32(31-22)18-6-5-14(25)8-16(18)27/h5-11H,1-4H3,(H,29,30,34).

What are the key properties of 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?

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 has a molecular weight of 500.36 g/mol, XLogP of 5.61, 4 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-chloro-6-propan-2-yl-4-pyridinyl)-6,7-dimethyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 177048295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).