3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

C14H16N4O2S — CID 126473733

IUPAC3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)[C@H](CO)n1c(=O)[nH]c2ncc(-c3ccsc3)nc21
InChIInChI=1S/C14H16N4O2S/c1-8(2)11(6-19)18-13-12(17-14(18)20)15-5-10(16-13)9-3-4-21-7-9/h3-5,7-8,11,19H,6H2,1-2H3,(H,15,17,20)/t11-/m0/s1
InChIKeyVAMOGFYTEPRNFD-NSHDSACASA-N
MW304.38 g/mol
LogP2.04
Rot. Bonds4

About 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126473733) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126473733
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)[C@H](CO)n1c(=O)[nH]c2ncc(-c3ccsc3)nc21
InChIInChI=1S/C14H16N4O2S/c1-8(2)11(6-19)18-13-12(17-14(18)20)15-5-10(16-13)9-3-4-21-7-9/h3-5,7-8,11,19H,6H2,1-2H3,(H,15,17,20)/t11-/m0/s1
InChIKeyVAMOGFYTEPRNFD-NSHDSACASA-N
XLogP2.04
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 126473733) is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)[C@H](CO)n1c(=O)[nH]c2ncc(-c3ccsc3)nc21.
What is the InChIKey of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is VAMOGFYTEPRNFD-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(2)11(6-19)18-13-12(17-14(18)20)15-5-10(16-13)9-3-4-21-7-9/h3-5,7-8,11,19H,6H2,1-2H3,(H,15,17,20)/t11-/m0/s1.
What are the key properties of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 304.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-thiophen-3-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126473733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).