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

C20H26N4O3 — CID 66699632

IUPAC3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-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([C@@H](CO)C(C)C)c2n1
InChIInChI=1S/C20H26N4O3/c1-11(2)13-6-7-17(27-5)14(8-13)15-9-21-18-19(22-15)24(20(26)23-18)16(10-25)12(3)4/h6-9,11-12,16,25H,10H2,1-5H3,(H,21,23,26)/t16-/m0/s1
InChIKeyTWFWQSRQIAZZLO-INIZCTEOSA-N
MW370.45 g/mol
LogP3.11
Rot. Bonds6

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

3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66699632) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66699632
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-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([C@@H](CO)C(C)C)c2n1
InChIInChI=1S/C20H26N4O3/c1-11(2)13-6-7-17(27-5)14(8-13)15-9-21-18-19(22-15)24(20(26)23-18)16(10-25)12(3)4/h6-9,11-12,16,25H,10H2,1-5H3,(H,21,23,26)/t16-/m0/s1
InChIKeyTWFWQSRQIAZZLO-INIZCTEOSA-N
XLogP3.11
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699734
3-(2-cyclopentylethyl)-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 67433305
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-pyridin-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 126472249
5-(2-methoxy-5-propan-2-ylphenyl)-3-[(3S)-oxolan-3-yl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699615
5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699805
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
3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24984851
6-(2-methoxy-5-propan-2-ylphenyl)-5-[(2R)-3-methylbutan-2-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123614236
2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol
CID 160971479
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 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) is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-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([C@@H](CO)C(C)C)c2n1.
What is the InChIKey of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is TWFWQSRQIAZZLO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-11(2)13-6-7-17(27-5)14(8-13)15-9-21-18-19(22-15)24(20(26)23-18)16(10-25)12(3)4/h6-9,11-12,16,25H,10H2,1-5H3,(H,21,23,26)/t16-/m0/s1.
What are the key properties of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 370.45 g/mol, XLogP of 3.11, 6 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-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).