2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide

C20H24N8O2 — CID 28786054

IUPAC2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide
SMILESCN1CCN(c2cnn(CC(=O)Nc3cc(-c4ccccn4)nn3C)c(=O)c2)CC1
InChIInChI=1S/C20H24N8O2/c1-25-7-9-27(10-8-25)15-11-20(30)28(22-13-15)14-19(29)23-18-12-17(24-26(18)2)16-5-3-4-6-21-16/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,29)
InChIKeyIZFSALRLSYWQNR-UHFFFAOYSA-N
MW408.47 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide

2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide (PubChem CID 28786054) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide
PubChem CID28786054
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide
SMILESCN1CCN(c2cnn(CC(=O)Nc3cc(-c4ccccn4)nn3C)c(=O)c2)CC1
InChIInChI=1S/C20H24N8O2/c1-25-7-9-27(10-8-25)15-11-20(30)28(22-13-15)14-19(29)23-18-12-17(24-26(18)2)16-5-3-4-6-21-16/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,29)
InChIKeyIZFSALRLSYWQNR-UHFFFAOYSA-N
XLogP0.43
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide (CID 28786054) is 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide is CN1CCN(c2cnn(CC(=O)Nc3cc(-c4ccccn4)nn3C)c(=O)c2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide?
The InChIKey is IZFSALRLSYWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-25-7-9-27(10-8-25)15-11-20(30)28(22-13-15)14-19(29)23-18-12-17(24-26(18)2)16-5-3-4-6-21-16/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,29).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide?
2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide has a molecular weight of 408.47 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)acetamide is sourced from PubChem (CID 28786054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).