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

C25H24FN7OS — CID 53482209

IUPAC(4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(N3CCN(c4ccccc4)CC3)n2)C1
InChIInChI=1S/C25H24FN7OS/c26-19-8-6-18(7-9-19)24(34)32-14-15-33-22(16-32)28-29-23(33)21-17-35-25(27-21)31-12-10-30(11-13-31)20-4-2-1-3-5-20/h1-9,17H,10-16H2
InChIKeyMXWRNADDSPXPSM-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.52
Rot. Bonds4

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

(4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 53482209) has the molecular formula C25H24FN7OS and a molecular weight of 489.58 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID53482209
Molecular FormulaC25H24FN7OS
Molecular Weight489.58 g/mol
Exact Mass489.17
IUPAC Name(4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(N3CCN(c4ccccc4)CC3)n2)C1
InChIInChI=1S/C25H24FN7OS/c26-19-8-6-18(7-9-19)24(34)32-14-15-33-22(16-32)28-29-23(33)21-17-35-25(27-21)31-12-10-30(11-13-31)20-4-2-1-3-5-20/h1-9,17H,10-16H2
InChIKeyMXWRNADDSPXPSM-UHFFFAOYSA-N
XLogP3.52
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-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)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 53482209) is (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(N3CCN(c4ccccc4)CC3)n2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is MXWRNADDSPXPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7OS/c26-19-8-6-18(7-9-19)24(34)32-14-15-33-22(16-32)28-29-23(33)21-17-35-25(27-21)31-12-10-30(11-13-31)20-4-2-1-3-5-20/h1-9,17H,10-16H2.
What are the key properties of (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 489.58 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 53482209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).