(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one

C24H30N2O4 — CID 16725973

IUPAC(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one
SMILESCOc1ccc(CN2C(=O)[C@H](C(C)C)N(Cc3ccc(OC)cc3)C(O)=C2C)cc1
InChIInChI=1S/C24H30N2O4/c1-16(2)22-24(28)25(14-18-6-10-20(29-4)11-7-18)17(3)23(27)26(22)15-19-8-12-21(30-5)13-9-19/h6-13,16,22,27H,14-15H2,1-5H3/t22-/m0/s1
InChIKeyJOUUHDPRJUHGSB-QFIPXVFZSA-N
MW410.51 g/mol
LogP4.32
Rot. Bonds7

About (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one

(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one (PubChem CID 16725973) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one.

Molecular Properties

Compound Name(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one
PubChem CID16725973
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one
SMILESCOc1ccc(CN2C(=O)[C@H](C(C)C)N(Cc3ccc(OC)cc3)C(O)=C2C)cc1
InChIInChI=1S/C24H30N2O4/c1-16(2)22-24(28)25(14-18-6-10-20(29-4)11-7-18)17(3)23(27)26(22)15-19-8-12-21(30-5)13-9-19/h6-13,16,22,27H,14-15H2,1-5H3/t22-/m0/s1
InChIKeyJOUUHDPRJUHGSB-QFIPXVFZSA-N
XLogP4.32
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743
(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one
CID 101213278
(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 11047909
(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
(1R,2S,6S,7R)-4-[(4-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98094774
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 73321398
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496

Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one?
The IUPAC name of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one (CID 16725973) is (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one.
What is the SMILES notation for (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one?
The canonical SMILES for (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one is COc1ccc(CN2C(=O)[C@H](C(C)C)N(Cc3ccc(OC)cc3)C(O)=C2C)cc1.
What is the InChIKey of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one?
The InChIKey is JOUUHDPRJUHGSB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(2)22-24(28)25(14-18-6-10-20(29-4)11-7-18)17(3)23(27)26(22)15-19-8-12-21(30-5)13-9-19/h6-13,16,22,27H,14-15H2,1-5H3/t22-/m0/s1.
What are the key properties of (2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one?
(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one has a molecular weight of 410.51 g/mol, XLogP of 4.32, 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]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one is sourced from PubChem (CID 16725973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).