1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one

C23H19N5O — CID 66699767

IUPAC1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one
SMILESC[C@H](c1ccccc1)n1c(=O)n(C)c2ncc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C23H19N5O/c1-15(16-8-4-3-5-9-16)28-22-21(27(2)23(28)29)25-14-20(26-22)18-10-6-12-19-17(18)11-7-13-24-19/h3-15H,1-2H3/t15-/m1/s1
InChIKeyJBDILTKRCGFYLW-OAHLLOKOSA-N
MW381.44 g/mol
LogP3.95
Rot. Bonds3

About 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one

1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one (PubChem CID 66699767) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one
PubChem CID66699767
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one
SMILESC[C@H](c1ccccc1)n1c(=O)n(C)c2ncc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C23H19N5O/c1-15(16-8-4-3-5-9-16)28-22-21(27(2)23(28)29)25-14-20(26-22)18-10-6-12-19-17(18)11-7-13-24-19/h3-15H,1-2H3/t15-/m1/s1
InChIKeyJBDILTKRCGFYLW-OAHLLOKOSA-N
XLogP3.95
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one (CID 66699767) is 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one is C[C@H](c1ccccc1)n1c(=O)n(C)c2ncc(-c3cccc4ncccc34)nc21.
What is the InChIKey of 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one?
The InChIKey is JBDILTKRCGFYLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15(16-8-4-3-5-9-16)28-22-21(27(2)23(28)29)25-14-20(26-22)18-10-6-12-19-17(18)11-7-13-24-19/h3-15H,1-2H3/t15-/m1/s1.
What are the key properties of 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one?
1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one has a molecular weight of 381.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).