7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C23H28FN5 — CID 46299129

IUPAC7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H28FN5/c1-17-15-22(28-13-11-27(12-14-28)20-5-3-2-4-6-20)29-23(26-17)21(16-25-29)18-7-9-19(24)10-8-18/h7-10,15-16,20H,2-6,11-14H2,1H3
InChIKeyZQYBGRIWRQKQBT-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.30
Rot. Bonds3

About 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 46299129) has the molecular formula C23H28FN5 and a molecular weight of 393.51 g/mol. Its IUPAC name is 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID46299129
Molecular FormulaC23H28FN5
Molecular Weight393.51 g/mol
Exact Mass393.23
IUPAC Name7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H28FN5/c1-17-15-22(28-13-11-27(12-14-28)20-5-3-2-4-6-20)29-23(26-17)21(16-25-29)18-7-9-19(24)10-8-18/h7-10,15-16,20H,2-6,11-14H2,1H3
InChIKeyZQYBGRIWRQKQBT-UHFFFAOYSA-N
XLogP4.30
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 46299129) is 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(C3CCCCC3)CC2)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZQYBGRIWRQKQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5/c1-17-15-22(28-13-11-27(12-14-28)20-5-3-2-4-6-20)29-23(26-17)21(16-25-29)18-7-9-19(24)10-8-18/h7-10,15-16,20H,2-6,11-14H2,1H3.
What are the key properties of 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 393.51 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexylpiperazin-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).