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

C14H16N8O — CID 146448915

IUPAC1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one
SMILESCN1CCN(c2ncc3[nH]nc(-c4cnn(C)c4)c3n2)CC1=O
InChIInChI=1S/C14H16N8O/c1-20-3-4-22(8-11(20)23)14-15-6-10-13(17-14)12(19-18-10)9-5-16-21(2)7-9/h5-7H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyHEJWDMSZDBYDME-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.03
Rot. Bonds2

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

1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one (PubChem CID 146448915) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one
PubChem CID146448915
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one
SMILESCN1CCN(c2ncc3[nH]nc(-c4cnn(C)c4)c3n2)CC1=O
InChIInChI=1S/C14H16N8O/c1-20-3-4-22(8-11(20)23)14-15-6-10-13(17-14)12(19-18-10)9-5-16-21(2)7-9/h5-7H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyHEJWDMSZDBYDME-UHFFFAOYSA-N
XLogP0.03
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one (CID 146448915) is 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one is CN1CCN(c2ncc3[nH]nc(-c4cnn(C)c4)c3n2)CC1=O.
What is the InChIKey of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
The InChIKey is HEJWDMSZDBYDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c1-20-3-4-22(8-11(20)23)14-15-6-10-13(17-14)12(19-18-10)9-5-16-21(2)7-9/h5-7H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one?
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one has a molecular weight of 312.34 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-2-one is sourced from PubChem (CID 146448915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).