2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

C23H22FN5 — CID 1441417

IUPAC2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1
InChIInChI=1S/C23H22FN5/c1-27-11-13-28(14-12-27)23-16-20(17-5-3-2-4-6-17)25-22-15-21(26-29(22)23)18-7-9-19(24)10-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyKQFQDPQDZXEMJO-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1441417) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID1441417
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1
InChIInChI=1S/C23H22FN5/c1-27-11-13-28(14-12-27)23-16-20(17-5-3-2-4-6-17)25-22-15-21(26-29(22)23)18-7-9-19(24)10-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyKQFQDPQDZXEMJO-UHFFFAOYSA-N
XLogP3.95
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 1441417) is 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is CN1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KQFQDPQDZXEMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c1-27-11-13-28(14-12-27)23-16-20(17-5-3-2-4-6-17)25-22-15-21(26-29(22)23)18-7-9-19(24)10-8-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 387.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1441417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).