1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H24N6O — CID 137264543

IUPAC1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCN(c4ccccc4)CC3)nc21
InChIInChI=1S/C19H24N6O/c1-19(2,3)25-16-15(13-20-25)17(26)22-18(21-16)24-11-9-23(10-12-24)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,21,22,26)
InChIKeyAQOGDNMAUWICDL-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.20
Rot. Bonds2

About 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137264543) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137264543
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCN(c4ccccc4)CC3)nc21
InChIInChI=1S/C19H24N6O/c1-19(2,3)25-16-15(13-20-25)17(26)22-18(21-16)24-11-9-23(10-12-24)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,21,22,26)
InChIKeyAQOGDNMAUWICDL-UHFFFAOYSA-N
XLogP2.20
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137264543) is 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(N3CCN(c4ccccc4)CC3)nc21.
What is the InChIKey of 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AQOGDNMAUWICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-19(2,3)25-16-15(13-20-25)17(26)22-18(21-16)24-11-9-23(10-12-24)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,21,22,26).
What are the key properties of 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 352.44 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137264543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).