(2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one

C25H27N3O4 — CID 5288014

IUPAC(2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one
SMILESO=C1N2C=C(c3ccc(O)cc3)NC(CC3CCCC3)C2=N[C@]1(O)Cc1ccc(O)cc1
InChIInChI=1S/C25H27N3O4/c29-19-9-5-17(6-10-19)14-25(32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21?,25-/m0/s1
InChIKeyLZGYXAHTZDMVSM-QBGQUKIHSA-N
MW433.51 g/mol
LogP3.12
Rot. Bonds5

About (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one

(2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one (PubChem CID 5288014) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one
PubChem CID5288014
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one
SMILESO=C1N2C=C(c3ccc(O)cc3)NC(CC3CCCC3)C2=N[C@]1(O)Cc1ccc(O)cc1
InChIInChI=1S/C25H27N3O4/c29-19-9-5-17(6-10-19)14-25(32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21?,25-/m0/s1
InChIKeyLZGYXAHTZDMVSM-QBGQUKIHSA-N
XLogP3.12
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one?
The IUPAC name of (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one (CID 5288014) is (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one.
What is the SMILES notation for (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one?
The canonical SMILES for (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one is O=C1N2C=C(c3ccc(O)cc3)NC(CC3CCCC3)C2=N[C@]1(O)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one?
The InChIKey is LZGYXAHTZDMVSM-QBGQUKIHSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-19-9-5-17(6-10-19)14-25(32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21?,25-/m0/s1.
What are the key properties of (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one?
(2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one has a molecular weight of 433.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-(cyclopentylmethyl)-2-hydroxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 5288014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).