(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one

C23H28N2O4 — CID 101213278

IUPAC(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one
SMILESCOc1ccc(CN2C=C(O)N(Cc3ccc(OC)cc3)[C@@H](C(C)C)C2=O)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)22-23(27)24(13-17-5-9-19(28-3)10-6-17)15-21(26)25(22)14-18-7-11-20(29-4)12-8-18/h5-12,15-16,22,26H,13-14H2,1-4H3/t22-/m0/s1
InChIKeyUPIXNBITBNMPLR-QFIPXVFZSA-N
MW396.49 g/mol
LogP3.93
Rot. Bonds7

About (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one

(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one (PubChem CID 101213278) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one.

Molecular Properties

Compound Name(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one
PubChem CID101213278
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one
SMILESCOc1ccc(CN2C=C(O)N(Cc3ccc(OC)cc3)[C@@H](C(C)C)C2=O)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)22-23(27)24(13-17-5-9-19(28-3)10-6-17)15-21(26)25(22)14-18-7-11-20(29-4)12-8-18/h5-12,15-16,22,26H,13-14H2,1-4H3/t22-/m0/s1
InChIKeyUPIXNBITBNMPLR-QFIPXVFZSA-N
XLogP3.93
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one
CID 16725973
(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 11047909
(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743
(3R,6S)-3-ethyl-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 15830795
(6S)-4,7-bis[(4-methoxyphenyl)methyl]-6-propan-2-yl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 11133627
(5S)-6-methoxy-4-[(4-methoxyphenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazin-3-one
CID 16725898
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496
(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
CID 102569921

Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one?
The IUPAC name of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one (CID 101213278) is (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one.
What is the SMILES notation for (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one?
The canonical SMILES for (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one is COc1ccc(CN2C=C(O)N(Cc3ccc(OC)cc3)[C@@H](C(C)C)C2=O)cc1.
What is the InChIKey of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one?
The InChIKey is UPIXNBITBNMPLR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)22-23(27)24(13-17-5-9-19(28-3)10-6-17)15-21(26)25(22)14-18-7-11-20(29-4)12-8-18/h5-12,15-16,22,26H,13-14H2,1-4H3/t22-/m0/s1.
What are the key properties of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one?
(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one has a molecular weight of 396.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one is sourced from PubChem (CID 101213278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).