2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C23H22ClFN6 — CID 23608716

IUPAC2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nc(Cc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C23H22ClFN6/c1-16-14-22(30-12-10-29(11-13-30)20-8-6-19(25)7-9-20)31-23(26-16)27-21(28-31)15-17-2-4-18(24)5-3-17/h2-9,14H,10-13,15H2,1H3
InChIKeyGIZUFYQVIDGPAE-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.14
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 23608716) has the molecular formula C23H22ClFN6 and a molecular weight of 436.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID23608716
Molecular FormulaC23H22ClFN6
Molecular Weight436.92 g/mol
Exact Mass436.16
IUPAC Name2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nc(Cc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C23H22ClFN6/c1-16-14-22(30-12-10-29(11-13-30)20-8-6-19(25)7-9-20)31-23(26-16)27-21(28-31)15-17-2-4-18(24)5-3-17/h2-9,14H,10-13,15H2,1H3
InChIKeyGIZUFYQVIDGPAE-UHFFFAOYSA-N
XLogP4.14
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 23608716) is 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nc(Cc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GIZUFYQVIDGPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6/c1-16-14-22(30-12-10-29(11-13-30)20-8-6-19(25)7-9-20)31-23(26-16)27-21(28-31)15-17-2-4-18(24)5-3-17/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 436.92 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 23608716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).