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

C22H28N4O2 — CID 67433305

IUPAC3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(CCC3CCCC3)c2n1
InChIInChI=1S/C22H28N4O2/c1-14(2)16-8-9-19(28-3)17(12-16)18-13-23-20-21(24-18)26(22(27)25-20)11-10-15-6-4-5-7-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,23,25,27)
InChIKeyWAKOPTHZJVGUOH-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.50
Rot. Bonds6

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

3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 67433305) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID67433305
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(CCC3CCCC3)c2n1
InChIInChI=1S/C22H28N4O2/c1-14(2)16-8-9-19(28-3)17(12-16)18-13-23-20-21(24-18)26(22(27)25-20)11-10-15-6-4-5-7-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,23,25,27)
InChIKeyWAKOPTHZJVGUOH-UHFFFAOYSA-N
XLogP4.50
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 67433305) is 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(CCC3CCCC3)c2n1.
What is the InChIKey of 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is WAKOPTHZJVGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14(2)16-8-9-19(28-3)17(12-16)18-13-23-20-21(24-18)26(22(27)25-20)11-10-15-6-4-5-7-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,23,25,27).
What are the key properties of 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 67433305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).