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

C21H23N5O2 — CID 59453117

IUPAC3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2ncc(-c3ccc4[nH]ccc4c3)nc2N1CCC1CCOCC1
InChIInChI=1S/C21H23N5O2/c27-19-13-24-20-21(26(19)8-4-14-5-9-28-10-6-14)25-18(12-23-20)15-1-2-17-16(11-15)3-7-22-17/h1-3,7,11-12,14,22H,4-6,8-10,13H2,(H,23,24)
InChIKeyHODBKAKOJZVOEF-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.20
Rot. Bonds4

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

3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453117) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453117
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CNc2ncc(-c3ccc4[nH]ccc4c3)nc2N1CCC1CCOCC1
InChIInChI=1S/C21H23N5O2/c27-19-13-24-20-21(26(19)8-4-14-5-9-28-10-6-14)25-18(12-23-20)15-1-2-17-16(11-15)3-7-22-17/h1-3,7,11-12,14,22H,4-6,8-10,13H2,(H,23,24)
InChIKeyHODBKAKOJZVOEF-UHFFFAOYSA-N
XLogP3.20
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453117) is 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CNc2ncc(-c3ccc4[nH]ccc4c3)nc2N1CCC1CCOCC1.
What is the InChIKey of 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is HODBKAKOJZVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19-13-24-20-21(26(19)8-4-14-5-9-28-10-6-14)25-18(12-23-20)15-1-2-17-16(11-15)3-7-22-17/h1-3,7,11-12,14,22H,4-6,8-10,13H2,(H,23,24).
What are the key properties of 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 377.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).