4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C17H19FN8 — CID 155799152

IUPAC4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncnc4[nH]ncc34)CC2)c1F
InChIInChI=1S/C17H19FN8/c1-10-13(18)17(23-14(22-10)11-2-3-11)26-6-4-25(5-7-26)16-12-8-21-24-15(12)19-9-20-16/h8-9,11H,2-7H2,1H3,(H,19,20,21,24)
InChIKeyQSAAWKKIDVVMTL-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.79
Rot. Bonds3

About 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 155799152) has the molecular formula C17H19FN8 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID155799152
Molecular FormulaC17H19FN8
Molecular Weight354.39 g/mol
Exact Mass354.17
IUPAC Name4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(N2CCN(c3ncnc4[nH]ncc34)CC2)c1F
InChIInChI=1S/C17H19FN8/c1-10-13(18)17(23-14(22-10)11-2-3-11)26-6-4-25(5-7-26)16-12-8-21-24-15(12)19-9-20-16/h8-9,11H,2-7H2,1H3,(H,19,20,21,24)
InChIKeyQSAAWKKIDVVMTL-UHFFFAOYSA-N
XLogP1.79
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 155799152) is 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Cc1nc(C2CC2)nc(N2CCN(c3ncnc4[nH]ncc34)CC2)c1F.
What is the InChIKey of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is QSAAWKKIDVVMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8/c1-10-13(18)17(23-14(22-10)11-2-3-11)26-6-4-25(5-7-26)16-12-8-21-24-15(12)19-9-20-16/h8-9,11H,2-7H2,1H3,(H,19,20,21,24).
What are the key properties of 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 354.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 155799152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).