(4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C23H20FN5OS — CID 53482380

IUPAC(4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2C
InChIInChI=1S/C23H20FN5OS/c1-14-19(31-22(25-14)16-6-4-3-5-7-16)21-27-26-20-15(2)28(12-13-29(20)21)23(30)17-8-10-18(24)11-9-17/h3-11,15H,12-13H2,1-2H3
InChIKeyGXVXIVJHEBELCZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.73
Rot. Bonds3

About (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 53482380) has the molecular formula C23H20FN5OS and a molecular weight of 433.51 g/mol. Its IUPAC name is (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID53482380
Molecular FormulaC23H20FN5OS
Molecular Weight433.51 g/mol
Exact Mass433.14
IUPAC Name(4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2C
InChIInChI=1S/C23H20FN5OS/c1-14-19(31-22(25-14)16-6-4-3-5-7-16)21-27-26-20-15(2)28(12-13-29(20)21)23(30)17-8-10-18(24)11-9-17/h3-11,15H,12-13H2,1-2H3
InChIKeyGXVXIVJHEBELCZ-UHFFFAOYSA-N
XLogP4.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 53482380) is (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nc(-c2ccccc2)sc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2C.
What is the InChIKey of (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is GXVXIVJHEBELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5OS/c1-14-19(31-22(25-14)16-6-4-3-5-7-16)21-27-26-20-15(2)28(12-13-29(20)21)23(30)17-8-10-18(24)11-9-17/h3-11,15H,12-13H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[8-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 53482380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).