N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

C21H26N8O — CID 24768412

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccccn3)n2)n1
InChIInChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30)
InChIKeyIWFABDHEBLKWSW-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.53
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 24768412) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID24768412
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccccn3)n2)n1
InChIInChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30)
InChIKeyIWFABDHEBLKWSW-UHFFFAOYSA-N
XLogP1.53
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 24768412) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccccn3)n2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is IWFABDHEBLKWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24768412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).