2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

C23H20ClN5O2S — CID 95183085

IUPAC2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C23H20ClN5O2S/c24-17-8-5-15(6-9-17)14-32-22-21-27-29(23(31)28(21)12-11-25-22)13-20(30)26-19-10-7-16-3-1-2-4-18(16)19/h1-6,8-9,11-12,19H,7,10,13-14H2,(H,26,30)/t19-/m1/s1
InChIKeyOHNINMRUEVLGCE-LJQANCHMSA-N
MW465.97 g/mol
LogP3.64
Rot. Bonds6

About 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 95183085) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID95183085
Molecular FormulaC23H20ClN5O2S
Molecular Weight465.97 g/mol
Exact Mass465.10
IUPAC Name2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C23H20ClN5O2S/c24-17-8-5-15(6-9-17)14-32-22-21-27-29(23(31)28(21)12-11-25-22)13-20(30)26-19-10-7-16-3-1-2-4-18(16)19/h1-6,8-9,11-12,19H,7,10,13-14H2,(H,26,30)/t19-/m1/s1
InChIKeyOHNINMRUEVLGCE-LJQANCHMSA-N
XLogP3.64
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide with MolForge

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Related Compounds

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N-(4-butylphenyl)-2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide
CID 92900192
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CID 17491802
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CID 92668962
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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 95183085) is 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)N[C@@H]1CCc2ccccc21.
What is the InChIKey of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is OHNINMRUEVLGCE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c24-17-8-5-15(6-9-17)14-32-22-21-27-29(23(31)28(21)12-11-25-22)13-20(30)26-19-10-7-16-3-1-2-4-18(16)19/h1-6,8-9,11-12,19H,7,10,13-14H2,(H,26,30)/t19-/m1/s1.
What are the key properties of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 465.97 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 95183085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).