6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol

C25H18N4O5 — CID 135980260

IUPAC6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1
InChIInChI=1S/C25H18N4O5/c30-19-9-1-15(2-10-19)13-21-25(32)28-14-22(16-5-11-20(31)12-6-16)26-23(24(28)27-21)17-3-7-18(8-4-17)29(33)34/h1-12,14,30-32H,13H2
InChIKeyCAYUHNYWJLRTHV-UHFFFAOYSA-N
MW454.44 g/mol
LogP4.68
Rot. Bonds5

About 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol

6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 135980260) has the molecular formula C25H18N4O5 and a molecular weight of 454.44 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID135980260
Molecular FormulaC25H18N4O5
Molecular Weight454.44 g/mol
Exact Mass454.13
IUPAC Name6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1
InChIInChI=1S/C25H18N4O5/c30-19-9-1-15(2-10-19)13-21-25(32)28-14-22(16-5-11-20(31)12-6-16)26-23(24(28)27-21)17-3-7-18(8-4-17)29(33)34/h1-12,14,30-32H,13H2
InChIKeyCAYUHNYWJLRTHV-UHFFFAOYSA-N
XLogP4.68
TPSA134.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol
CID 135980283
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 135445694
8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
CID 160676585
8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136879455
6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 163908697
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
CID 146404031
2-benzyl-6-phenyl-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol
CID 136717674
4-nitrophenol
CID 88714583
4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
CID 57008616
4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
CID 135409815
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)-1,2-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one
CID 152774252

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol (CID 135980260) is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol is O=[N+]([O-])c1ccc(-c2nc(-c3ccc(O)cc3)cn3c(O)c(Cc4ccc(O)cc4)nc23)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is CAYUHNYWJLRTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O5/c30-19-9-1-15(2-10-19)13-21-25(32)28-14-22(16-5-11-20(31)12-6-16)26-23(24(28)27-21)17-3-7-18(8-4-17)29(33)34/h1-12,14,30-32H,13H2.
What are the key properties of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol?
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 454.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 135980260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).