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

C25H23FN6O2S — CID 67450682

IUPAC(4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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(-c3ccc(N4CCOCC4)cc3)n2)C1
InChIInChI=1S/C25H23FN6O2S/c26-19-5-1-18(2-6-19)25(33)31-9-10-32-22(15-31)28-29-23(32)21-16-35-24(27-21)17-3-7-20(8-4-17)30-11-13-34-14-12-30/h1-8,16H,9-15H2
InChIKeyORMUMZUJYIBZAH-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.70
Rot. Bonds4

About (4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 67450682) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID67450682
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC Name(4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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(-c3ccc(N4CCOCC4)cc3)n2)C1
InChIInChI=1S/C25H23FN6O2S/c26-19-5-1-18(2-6-19)25(33)31-9-10-32-22(15-31)28-29-23(32)21-16-35-24(27-21)17-3-7-20(8-4-17)30-11-13-34-14-12-30/h1-8,16H,9-15H2
InChIKeyORMUMZUJYIBZAH-UHFFFAOYSA-N
XLogP3.70
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze (4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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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Related Compounds

N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
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CID 67451093
2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78892236
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CID 50828762
(4-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748400
[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylphenyl)methanone
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[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-thiophen-3-ylmethanone
CID 53193528
[8-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
CID 71225138
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 67450682) is (4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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-morpholin-4-ylphenyl)-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-morpholin-4-ylphenyl)-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(-c3ccc(N4CCOCC4)cc3)n2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is ORMUMZUJYIBZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c26-19-5-1-18(2-6-19)25(33)31-9-10-32-22(15-31)28-29-23(32)21-16-35-24(27-21)17-3-7-20(8-4-17)30-11-13-34-14-12-30/h1-8,16H,9-15H2.
What are the key properties of (4-fluorophenyl)-[3-[2-(4-morpholin-4-ylphenyl)-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-morpholin-4-ylphenyl)-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 490.56 g/mol, XLogP of 3.70, 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-morpholin-4-ylphenyl)-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 67450682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).