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

C20H19FN6O — CID 20961777

IUPAC7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C20H19FN6O/c1-14-13-18(27-20(22-14)23-19(24-27)17-3-2-12-28-17)26-10-8-25(9-11-26)16-6-4-15(21)5-7-16/h2-7,12-13H,8-11H2,1H3
InChIKeyQXRYWACFFTZGOB-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.16
Rot. Bonds3

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

7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 20961777) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID20961777
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C20H19FN6O/c1-14-13-18(27-20(22-14)23-19(24-27)17-3-2-12-28-17)26-10-8-25(9-11-26)16-6-4-15(21)5-7-16/h2-7,12-13H,8-11H2,1H3
InChIKeyQXRYWACFFTZGOB-UHFFFAOYSA-N
XLogP3.16
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

Preladenant
CID 10117987
CID 9912318
CID 9912318
N~5~-{2-[4-(2,4-Difluorophenyl)piperazin-1-Yl]ethyl}-2-(Furan-2-Yl)[1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 44394716
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768404
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 24768414
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 24768415
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-{4-[(dimethylamino)methyl]piperidin-1-yl}acetamide
CID 24768418
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)acetamide
CID 24768419
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 24768420
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1,4-oxazepan-4-yl)acetamide
CID 24768421
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide
CID 24768422

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 20961777) is 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QXRYWACFFTZGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-14-13-18(27-20(22-14)23-19(24-27)17-3-2-12-28-17)26-10-8-25(9-11-26)16-6-4-15(21)5-7-16/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 378.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 20961777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).