(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C22H19FN6O — CID 24720138

IUPAC(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2c(-c3ccccc3)cnc3ncnn23)CC1
InChIInChI=1S/C22H19FN6O/c23-18-8-6-17(7-9-18)21(30)28-12-10-27(11-13-28)20-19(16-4-2-1-3-5-16)14-24-22-25-15-26-29(20)22/h1-9,14-15H,10-13H2
InChIKeyZVJSKDXSRXTWLT-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.89
Rot. Bonds3

About (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 24720138) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID24720138
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2c(-c3ccccc3)cnc3ncnn23)CC1
InChIInChI=1S/C22H19FN6O/c23-18-8-6-17(7-9-18)21(30)28-12-10-27(11-13-28)20-19(16-4-2-1-3-5-16)14-24-22-25-15-26-29(20)22/h1-9,14-15H,10-13H2
InChIKeyZVJSKDXSRXTWLT-UHFFFAOYSA-N
XLogP2.89
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 24720138) is (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(c2c(-c3ccccc3)cnc3ncnn23)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is ZVJSKDXSRXTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-18-8-6-17(7-9-18)21(30)28-12-10-27(11-13-28)20-19(16-4-2-1-3-5-16)14-24-22-25-15-26-29(20)22/h1-9,14-15H,10-13H2.
What are the key properties of (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 402.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 24720138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).