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

C23H20FN5O2S — CID 53482271

IUPAC(4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-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(-c3csc(-c4ccccc4)n3)nnc2C1CCO
InChIInChI=1S/C23H20FN5O2S/c24-17-8-6-16(7-9-17)23(31)28-11-12-29-20(26-27-21(29)19(28)10-13-30)18-14-32-22(25-18)15-4-2-1-3-5-15/h1-9,14,19,30H,10-13H2
InChIKeySKZWEQMRYDNHAK-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.79
Rot. Bonds5

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

(4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 53482271) has the molecular formula C23H20FN5O2S and a molecular weight of 449.51 g/mol. Its IUPAC name is (4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-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)-[8-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID53482271
Molecular FormulaC23H20FN5O2S
Molecular Weight449.51 g/mol
Exact Mass449.13
IUPAC Name(4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-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(-c3csc(-c4ccccc4)n3)nnc2C1CCO
InChIInChI=1S/C23H20FN5O2S/c24-17-8-6-16(7-9-17)23(31)28-11-12-29-20(26-27-21(29)19(28)10-13-30)18-14-32-22(25-18)15-4-2-1-3-5-15/h1-9,14,19,30H,10-13H2
InChIKeySKZWEQMRYDNHAK-UHFFFAOYSA-N
XLogP3.79
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-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)-[8-(2-hydroxyethyl)-3-(2-phenyl-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)-[8-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 53482271) is (4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-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)-[8-(2-hydroxyethyl)-3-(2-phenyl-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)-[8-(2-hydroxyethyl)-3-(2-phenyl-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(-c3csc(-c4ccccc4)n3)nnc2C1CCO.
What is the InChIKey of (4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is SKZWEQMRYDNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S/c24-17-8-6-16(7-9-17)23(31)28-11-12-29-20(26-27-21(29)19(28)10-13-30)18-14-32-22(25-18)15-4-2-1-3-5-15/h1-9,14,19,30H,10-13H2.
What are the key properties of (4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-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 449.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[8-(2-hydroxyethyl)-3-(2-phenyl-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 53482271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).