6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

C20H26N4O2 — CID 123614236

IUPAC6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1nc2[nH]c(=O)[nH]c2nc1[C@H](C)C(C)C
InChIInChI=1S/C20H26N4O2/c1-10(2)12(5)16-17(22-19-18(21-16)23-20(25)24-19)14-9-13(11(3)4)7-8-15(14)26-6/h7-12H,1-6H3,(H2,21,22,23,24,25)/t12-/m1/s1
InChIKeyBNHTZDKXNVUFIL-GFCCVEGCSA-N
MW354.45 g/mol
LogP4.20
Rot. Bonds5

About 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one

6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 123614236) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
PubChem CID123614236
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1nc2[nH]c(=O)[nH]c2nc1[C@H](C)C(C)C
InChIInChI=1S/C20H26N4O2/c1-10(2)12(5)16-17(22-19-18(21-16)23-20(25)24-19)14-9-13(11(3)4)7-8-15(14)26-6/h7-12H,1-6H3,(H2,21,22,23,24,25)/t12-/m1/s1
InChIKeyBNHTZDKXNVUFIL-GFCCVEGCSA-N
XLogP4.20
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123388941
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699734
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699632
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884097
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
CID 82302135
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (CID 123614236) is 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is COc1ccc(C(C)C)cc1-c1nc2[nH]c(=O)[nH]c2nc1[C@H](C)C(C)C.
What is the InChIKey of 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
The InChIKey is BNHTZDKXNVUFIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-10(2)12(5)16-17(22-19-18(21-16)23-20(25)24-19)14-9-13(11(3)4)7-8-15(14)26-6/h7-12H,1-6H3,(H2,21,22,23,24,25)/t12-/m1/s1.
What are the key properties of 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?
6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 123614236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).