2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide

C19H22N8O — CID 24768411

IUPAC2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C19H22N8O/c1-25-9-11-26(12-10-25)14-18(28)22-16-13-17(27-8-4-7-21-27)24-19(23-16)15-5-2-3-6-20-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24,28)
InChIKeyVBPKAULCBBOHDH-UHFFFAOYSA-N
MW378.44 g/mol
LogP0.91
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide

2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide (PubChem CID 24768411) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide
PubChem CID24768411
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C19H22N8O/c1-25-9-11-26(12-10-25)14-18(28)22-16-13-17(27-8-4-7-21-27)24-19(23-16)15-5-2-3-6-20-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24,28)
InChIKeyVBPKAULCBBOHDH-UHFFFAOYSA-N
XLogP0.91
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide (CID 24768411) is 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide is CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
The InChIKey is VBPKAULCBBOHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-25-9-11-26(12-10-25)14-18(28)22-16-13-17(27-8-4-7-21-27)24-19(23-16)15-5-2-3-6-20-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24,28).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(6-pyrazol-1-yl-2-pyridin-2-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 24768411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).