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

C17H14N4O2 — CID 126475470

IUPAC5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@@H](c1ccccc1)n1c(=O)[nH]c2nc(-c3ccco3)cnc21
InChIInChI=1S/C17H14N4O2/c1-11(12-6-3-2-4-7-12)21-16-15(20-17(21)22)19-13(10-18-16)14-8-5-9-23-14/h2-11H,1H3,(H,19,20,22)/t11-/m0/s1
InChIKeyJCUFUVLZQXNSJA-NSHDSACASA-N
MW306.32 g/mol
LogP2.99
Rot. Bonds3

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

5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126475470) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126475470
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@@H](c1ccccc1)n1c(=O)[nH]c2nc(-c3ccco3)cnc21
InChIInChI=1S/C17H14N4O2/c1-11(12-6-3-2-4-7-12)21-16-15(20-17(21)22)19-13(10-18-16)14-8-5-9-23-14/h2-11H,1H3,(H,19,20,22)/t11-/m0/s1
InChIKeyJCUFUVLZQXNSJA-NSHDSACASA-N
XLogP2.99
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one (CID 126475470) is 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one is C[C@@H](c1ccccc1)n1c(=O)[nH]c2nc(-c3ccco3)cnc21.
What is the InChIKey of 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is JCUFUVLZQXNSJA-NSHDSACASA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11(12-6-3-2-4-7-12)21-16-15(20-17(21)22)19-13(10-18-16)14-8-5-9-23-14/h2-11H,1H3,(H,19,20,22)/t11-/m0/s1.
What are the key properties of 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one?
5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 306.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-[(1S)-1-phenylethyl]-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126475470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).