5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid

C19H14N4O4 — CID 135520466

IUPAC5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)ccc1O
InChIInChI=1S/C19H14N4O4/c24-15-7-6-12(8-13(15)18(25)26)14-9-20-16-17(21-14)23(19(27)22-16)10-11-4-2-1-3-5-11/h1-9,24H,10H2,(H,25,26)(H,20,22,27)
InChIKeyUDSXADMRAAOUDZ-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.24
Rot. Bonds4

About 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid

5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid (PubChem CID 135520466) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid
PubChem CID135520466
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)ccc1O
InChIInChI=1S/C19H14N4O4/c24-15-7-6-12(8-13(15)18(25)26)14-9-20-16-17(21-14)23(19(27)22-16)10-11-4-2-1-3-5-11/h1-9,24H,10H2,(H,25,26)(H,20,22,27)
InChIKeyUDSXADMRAAOUDZ-UHFFFAOYSA-N
XLogP2.24
TPSA121.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-methoxybenzaldehyde
CID 11653391
3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11646232
2-methyl-4-[3-(oxan-4-ylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzoic acid
CID 69032341
3-[(3-methylphenyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11647142
1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one
CID 126469846
1-benzyl-4-(benzylamino)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 67453942
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
1-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 126471277
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
methyl 2-[(9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetate
CID 67263722
2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)oxy]acetic acid
CID 59382538
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid (CID 135520466) is 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid is O=C(O)c1cc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)ccc1O.
What is the InChIKey of 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid?
The InChIKey is UDSXADMRAAOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-15-7-6-12(8-13(15)18(25)26)14-9-20-16-17(21-14)23(19(27)22-16)10-11-4-2-1-3-5-11/h1-9,24H,10H2,(H,25,26)(H,20,22,27).
What are the key properties of 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid?
5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid has a molecular weight of 362.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 135520466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).