5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one

C19H16N4O2 — CID 126475662

IUPAC5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc(O)c3)nc21
InChIInChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-18-17(22-19(23)25)20-11-16(21-18)14-8-5-9-15(24)10-14/h2-12,24H,1H3,(H,20,22,25)/t12-/m1/s1
InChIKeyISIRSMKZUQGYGA-GFCCVEGCSA-N
MW332.36 g/mol
LogP3.10
Rot. Bonds3

About 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one

5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126475662) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126475662
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc(O)c3)nc21
InChIInChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-18-17(22-19(23)25)20-11-16(21-18)14-8-5-9-15(24)10-14/h2-12,24H,1H3,(H,20,22,25)/t12-/m1/s1
InChIKeyISIRSMKZUQGYGA-GFCCVEGCSA-N
XLogP3.10
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 126475662) is 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one is C[C@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc(O)c3)nc21.
What is the InChIKey of 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is ISIRSMKZUQGYGA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-18-17(22-19(23)25)20-11-16(21-18)14-8-5-9-15(24)10-14/h2-12,24H,1H3,(H,20,22,25)/t12-/m1/s1.
What are the key properties of 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126475662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).