5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one

C19H24N4O2 — CID 66699734

IUPAC5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(CC(C)C)c2n1
InChIInChI=1S/C19H24N4O2/c1-11(2)10-23-18-17(22-19(23)24)20-9-15(21-18)14-8-13(12(3)4)6-7-16(14)25-5/h6-9,11-12H,10H2,1-5H3,(H,20,22,24)
InChIKeyLJGJRIKXZVCGDN-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.57
Rot. Bonds5

About 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one

5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66699734) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66699734
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(CC(C)C)c2n1
InChIInChI=1S/C19H24N4O2/c1-11(2)10-23-18-17(22-19(23)24)20-9-15(21-18)14-8-13(12(3)4)6-7-16(14)25-5/h6-9,11-12H,10H2,1-5H3,(H,20,22,24)
InChIKeyLJGJRIKXZVCGDN-UHFFFAOYSA-N
XLogP3.57
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 66699734) is 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(CC(C)C)c2n1.
What is the InChIKey of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is LJGJRIKXZVCGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11(2)10-23-18-17(22-19(23)24)20-9-15(21-18)14-8-13(12(3)4)6-7-16(14)25-5/h6-9,11-12H,10H2,1-5H3,(H,20,22,24).
What are the key properties of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 340.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).