[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C26H27N7O — CID 110150821

About [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 110150821) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• PubChem CID: 110150821
• Molecular Formula: C26H27N7O
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.23
• IUPAC Name: [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• SMILES: CN(c1ccccc1)c1ccc(CC2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)nn1
• InChI: InChI=1S/C26H27N7O/c1-31(23-8-3-2-4-9-23)25-13-11-22(29-30-25)17-20-7-5-15-32(19-20)26(34)21-10-12-24(27-18-21)33-16-6-14-28-33/h2-4,6,8-14,16,18,20H,5,7,15,17,19H2,1H3
• InChIKey: VRAWLODWCYZMCW-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 80.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The IUPAC name of [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 110150821) is [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

What is the SMILES notation for [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The canonical SMILES for [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is CN(c1ccccc1)c1ccc(CC2CCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)nn1.

What is the InChIKey of [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The InChIKey is VRAWLODWCYZMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-31(23-8-3-2-4-9-23)25-13-11-22(29-30-25)17-20-7-5-15-32(19-20)26(34)21-10-12-24(27-18-21)33-16-6-14-28-33/h2-4,6,8-14,16,18,20H,5,7,15,17,19H2,1H3.

What are the key properties of [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

[3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 453.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110150821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).