(2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one

C24H18ClN3O — CID 162352429

IUPAC(2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N=C1c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H18ClN3O/c25-17-11-12-20-18(13-17)19(14-26-20)23-24(29)28-22(16-9-5-2-6-10-16)21(27-23)15-7-3-1-4-8-15/h1-14,21-22,26H,(H,28,29)/t21-,22-/m1/s1
InChIKeyIVKTWXNJOQWQEL-FGZHOGPDSA-N
MW399.88 g/mol
LogP5.22
Rot. Bonds3

About (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one

(2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 162352429) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name(2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one
PubChem CID162352429
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name(2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one
SMILESO=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N=C1c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H18ClN3O/c25-17-11-12-20-18(13-17)19(14-26-20)23-24(29)28-22(16-9-5-2-6-10-16)21(27-23)15-7-3-1-4-8-15/h1-14,21-22,26H,(H,28,29)/t21-,22-/m1/s1
InChIKeyIVKTWXNJOQWQEL-FGZHOGPDSA-N
XLogP5.22
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one (CID 162352429) is (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one is O=C1N[C@H](c2ccccc2)[C@@H](c2ccccc2)N=C1c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is IVKTWXNJOQWQEL-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H18ClN3O/c25-17-11-12-20-18(13-17)19(14-26-20)23-24(29)28-22(16-9-5-2-6-10-16)21(27-23)15-7-3-1-4-8-15/h1-14,21-22,26H,(H,28,29)/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one?
(2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 399.88 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-(5-chloro-1H-indol-3-yl)-2,3-diphenyl-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 162352429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).