1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C19H21FN6O — CID 42671981

IUPAC1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)nc3c2cnn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN6O/c1-3-17(27)24-8-10-25(11-9-24)18-16-12-21-26(19(16)23-13(2)22-18)15-6-4-14(20)5-7-15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyKZPJJVNDMNUAFY-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.32
Rot. Bonds3

About 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 42671981) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID42671981
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)nc3c2cnn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN6O/c1-3-17(27)24-8-10-25(11-9-24)18-16-12-21-26(19(16)23-13(2)22-18)15-6-4-14(20)5-7-15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyKZPJJVNDMNUAFY-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 42671981) is 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc(C)nc3c2cnn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is KZPJJVNDMNUAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-3-17(27)24-8-10-25(11-9-24)18-16-12-21-26(19(16)23-13(2)22-18)15-6-4-14(20)5-7-15/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 368.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 42671981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).