5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one

C18H16N6O2 — CID 126472296

IUPAC5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ncc(-c2cnc3[nH]c(=O)n([C@@H](C)c4ccccc4)c3n2)cn1
InChIInChI=1S/C18H16N6O2/c1-11(12-6-4-3-5-7-12)24-16-15(23-18(24)25)19-10-14(22-16)13-8-20-17(26-2)21-9-13/h3-11H,1-2H3,(H,19,23,25)/t11-/m0/s1
InChIKeyWPQZXYVGGDRJMR-NSHDSACASA-N
MW348.37 g/mol
LogP2.19
Rot. Bonds4

About 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one

5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126472296) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126472296
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ncc(-c2cnc3[nH]c(=O)n([C@@H](C)c4ccccc4)c3n2)cn1
InChIInChI=1S/C18H16N6O2/c1-11(12-6-4-3-5-7-12)24-16-15(23-18(24)25)19-10-14(22-16)13-8-20-17(26-2)21-9-13/h3-11H,1-2H3,(H,19,23,25)/t11-/m0/s1
InChIKeyWPQZXYVGGDRJMR-NSHDSACASA-N
XLogP2.19
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 126472296) is 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one is COc1ncc(-c2cnc3[nH]c(=O)n([C@@H](C)c4ccccc4)c3n2)cn1.
What is the InChIKey of 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is WPQZXYVGGDRJMR-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11(12-6-4-3-5-7-12)24-16-15(23-18(24)25)19-10-14(22-16)13-8-20-17(26-2)21-9-13/h3-11H,1-2H3,(H,19,23,25)/t11-/m0/s1.
What are the key properties of 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 348.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126472296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).