1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one

C15H18N8O — CID 146448856

IUPAC1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one
SMILESCC1C(=O)N(C)CCN1c1ncc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C15H18N8O/c1-9-14(24)21(2)4-5-23(9)15-16-7-11-13(18-15)12(20-19-11)10-6-17-22(3)8-10/h6-9H,4-5H2,1-3H3,(H,19,20)
InChIKeyOJGOVIODTPNPDG-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.42
Rot. Bonds2

About 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one

1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one (PubChem CID 146448856) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one
PubChem CID146448856
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one
SMILESCC1C(=O)N(C)CCN1c1ncc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C15H18N8O/c1-9-14(24)21(2)4-5-23(9)15-16-7-11-13(18-15)12(20-19-11)10-6-17-22(3)8-10/h6-9H,4-5H2,1-3H3,(H,19,20)
InChIKeyOJGOVIODTPNPDG-UHFFFAOYSA-N
XLogP0.42
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one (CID 146448856) is 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one is CC1C(=O)N(C)CCN1c1ncc2[nH]nc(-c3cnn(C)c3)c2n1.
What is the InChIKey of 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
The InChIKey is OJGOVIODTPNPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9-14(24)21(2)4-5-23(9)15-16-7-11-13(18-15)12(20-19-11)10-6-17-22(3)8-10/h6-9H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one has a molecular weight of 326.36 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one is sourced from PubChem (CID 146448856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).