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

C20H26N4O3 — CID 123388941

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

5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one (PubChem CID 123388941) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

Molecular Properties

• Compound Name: 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
• PubChem CID: 123388941
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
• SMILES: COc1ccc(C(C)C)cc1-c1nc2[nH]c(=O)[nH]c2nc1[C@H](CO)C(C)C
• InChI: InChI=1S/C20H26N4O3/c1-10(2)12-6-7-15(27-5)13(8-12)16-17(14(9-25)11(3)4)22-19-18(21-16)23-20(26)24-19/h6-8,10-11,14,25H,9H2,1-5H3,(H2,21,22,23,24,26)/t14-/m1/s1
• InChIKey: AHHQJTCPXOYGRU-CQSZACIVSA-N
• XLogP: 3.18
• TPSA: 103.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?

The IUPAC name of 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) is 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one.

What is the SMILES notation for 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?

The canonical SMILES for 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is COc1ccc(C(C)C)cc1-c1nc2[nH]c(=O)[nH]c2nc1[C@H](CO)C(C)C.

What is the InChIKey of 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?

The InChIKey is AHHQJTCPXOYGRU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-10(2)12-6-7-15(27-5)13(8-12)16-17(14(9-25)11(3)4)22-19-18(21-16)23-20(26)24-19/h6-8,10-11,14,25H,9H2,1-5H3,(H2,21,22,23,24,26)/t14-/m1/s1.

What are the key properties of 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one?

5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one has a molecular weight of 370.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 123388941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).