6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

C23H27ClN6O3 — CID 164896850

About 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 164896850) has the molecular formula C23H27ClN6O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
• PubChem CID: 164896850
• Molecular Formula: C23H27ClN6O3
• Molecular Weight: 470.96 g/mol
• Exact Mass: 470.18
• IUPAC Name: 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
• SMILES: CCN1CCC(CO)(NC(=O)c2cc(-c3ccc(Cl)cc3)nn(-c3cnn(C)c3)c2=O)CC1
• InChI: InChI=1S/C23H27ClN6O3/c1-3-29-10-8-23(15-31,9-11-29)26-21(32)19-12-20(16-4-6-17(24)7-5-16)27-30(22(19)33)18-13-25-28(2)14-18/h4-7,12-14,31H,3,8-11,15H2,1-2H3,(H,26,32)
• InChIKey: OQMWZPXPQOZFSK-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 105.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.96
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?

The IUPAC name of 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (CID 164896850) is 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

What is the SMILES notation for 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?

The canonical SMILES for 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is CCN1CCC(CO)(NC(=O)c2cc(-c3ccc(Cl)cc3)nn(-c3cnn(C)c3)c2=O)CC1.

What is the InChIKey of 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?

The InChIKey is OQMWZPXPQOZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O3/c1-3-29-10-8-23(15-31,9-11-29)26-21(32)19-12-20(16-4-6-17(24)7-5-16)27-30(22(19)33)18-13-25-28(2)14-18/h4-7,12-14,31H,3,8-11,15H2,1-2H3,(H,26,32).

What are the key properties of 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?

6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-N-[1-ethyl-4-(hydroxymethyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 164896850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).