6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H21N5O2 — CID 120571003

IUPAC6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCNC(C)C1C
InChIInChI=1S/C15H21N5O2/c1-9-11(3)19(7-6-16-9)14(21)8-12-10(2)18-13-4-5-17-20(13)15(12)22/h4-5,9,11,16-17H,6-8H2,1-3H3
InChIKeyFRTGLCVBQPERRX-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.08
Rot. Bonds2

About 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 120571003) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID120571003
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCNC(C)C1C
InChIInChI=1S/C15H21N5O2/c1-9-11(3)19(7-6-16-9)14(21)8-12-10(2)18-13-4-5-17-20(13)15(12)22/h4-5,9,11,16-17H,6-8H2,1-3H3
InChIKeyFRTGLCVBQPERRX-UHFFFAOYSA-N
XLogP0.08
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 120571003) is 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1CC(=O)N1CCNC(C)C1C.
What is the InChIKey of 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FRTGLCVBQPERRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-11(3)19(7-6-16-9)14(21)8-12-10(2)18-13-4-5-17-20(13)15(12)22/h4-5,9,11,16-17H,6-8H2,1-3H3.
What are the key properties of 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 303.37 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 120571003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).