3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide

C25H24Cl2N6O — CID 59627390

About 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide

3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide (PubChem CID 59627390) has the molecular formula C25H24Cl2N6O and a molecular weight of 495.41 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
• PubChem CID: 59627390
• Molecular Formula: C25H24Cl2N6O
• Molecular Weight: 495.41 g/mol
• Exact Mass: 494.14
• IUPAC Name: 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
• SMILES: CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
• InChI: InChI=1S/C25H24Cl2N6O/c1-31(25(34)16-13-17(26)15-18(27)14-16)19-8-11-33(12-9-19)24-21-6-4-3-5-20(21)23(29-30-24)22-7-10-28-32(22)2/h3-7,10,13-15,19H,8-9,11-12H2,1-2H3
• InChIKey: LPDUYBIRTDEYRW-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.41
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide?

The IUPAC name of 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide (CID 59627390) is 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide.

What is the SMILES notation for 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide?

The canonical SMILES for 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide is CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.

What is the InChIKey of 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide?

The InChIKey is LPDUYBIRTDEYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O/c1-31(25(34)16-13-17(26)15-18(27)14-16)19-8-11-33(12-9-19)24-21-6-4-3-5-20(21)23(29-30-24)22-7-10-28-32(22)2/h3-7,10,13-15,19H,8-9,11-12H2,1-2H3.

What are the key properties of 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide?

3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide has a molecular weight of 495.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 59627390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).