6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

C19H24N6 — CID 42805374

IUPAC6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)c1nc(N2CCNCC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H24N6/c1-19(2,3)18-22-16(24-11-9-20-10-12-24)15-13-21-25(17(15)23-18)14-7-5-4-6-8-14/h4-8,13,20H,9-12H2,1-3H3
InChIKeyAYXAGJVYEHATHS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.52
Rot. Bonds2

About 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 42805374) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID42805374
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)c1nc(N2CCNCC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H24N6/c1-19(2,3)18-22-16(24-11-9-20-10-12-24)15-13-21-25(17(15)23-18)14-7-5-4-6-8-14/h4-8,13,20H,9-12H2,1-3H3
InChIKeyAYXAGJVYEHATHS-UHFFFAOYSA-N
XLogP2.52
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-4-piperazin-1-yl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 42671771
6-(2-methylpropyl)-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 24716524
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1235469
3-(4-piperazin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)benzoic acid
CID 84818535
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 11232823
1-(5-ethyl-1-phenylpyrazol-4-yl)piperazine
CID 117210557
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 2380610

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (CID 42805374) is 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is CC(C)(C)c1nc(N2CCNCC2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is AYXAGJVYEHATHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-19(2,3)18-22-16(24-11-9-20-10-12-24)15-13-21-25(17(15)23-18)14-7-5-4-6-8-14/h4-8,13,20H,9-12H2,1-3H3.
What are the key properties of 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42805374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).