3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C20H25N5O3 — CID 59453124

About 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453124) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
• PubChem CID: 59453124
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
• SMILES: C[C@H](O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)C(=O)CN3)cn1
• InChI: InChI=1S/C20H25N5O3/c1-13(26)16-3-2-15(10-21-16)17-11-22-19-20(24-17)25(18(27)12-23-19)7-4-14-5-8-28-9-6-14/h2-3,10-11,13-14,26H,4-9,12H2,1H3,(H,22,23)/t13-/m0/s1
• InChIKey: OHBOJKQXJVEZOB-ZDUSSCGKSA-N
• XLogP: 2.17
• TPSA: 100.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?

The IUPAC name of 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453124) is 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

What is the SMILES notation for 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?

The canonical SMILES for 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is C[C@H](O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)C(=O)CN3)cn1.

What is the InChIKey of 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?

The InChIKey is OHBOJKQXJVEZOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13(26)16-3-2-15(10-21-16)17-11-22-19-20(24-17)25(18(27)12-23-19)7-4-14-5-8-28-9-6-14/h2-3,10-11,13-14,26H,4-9,12H2,1H3,(H,22,23)/t13-/m0/s1.

What are the key properties of 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?

3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 383.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).