2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

C22H27N7O3 — CID 24768419

IUPAC2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31)
InChIKeyDVMXMPFGPAWRLB-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 24768419) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
PubChem CID24768419
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31)
InChIKeyDVMXMPFGPAWRLB-UHFFFAOYSA-N
XLogP1.95
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (CID 24768419) is 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is CC(=O)N1CCN(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is DVMXMPFGPAWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).