3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C22H25N7O2 — CID 153181286

IUPAC3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc(-c4ccc(C5=NCC=N5)nc4)nc32)CC1
InChIInChI=1S/C22H25N7O2/c1-31-16-5-2-14(3-6-16)13-29-19(30)12-27-21-22(29)28-18(11-26-21)15-4-7-17(25-10-15)20-23-8-9-24-20/h4,7-8,10-11,14,16H,2-3,5-6,9,12-13H2,1H3,(H,26,27)
InChIKeyWGFGNQJRJGIWNE-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.33
Rot. Bonds5

About 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 153181286) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID153181286
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc(-c4ccc(C5=NCC=N5)nc4)nc32)CC1
InChIInChI=1S/C22H25N7O2/c1-31-16-5-2-14(3-6-16)13-29-19(30)12-27-21-22(29)28-18(11-26-21)15-4-7-17(25-10-15)20-23-8-9-24-20/h4,7-8,10-11,14,16H,2-3,5-6,9,12-13H2,1H3,(H,26,27)
InChIKeyWGFGNQJRJGIWNE-UHFFFAOYSA-N
XLogP2.33
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 172739416
3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453124
5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66716343
3-(5H-cyclopenta[b]pyridin-2-yl)-5-ethyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 147437860
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453063
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 159072734
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 162162454
5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;hydrochloride
CID 67153895
8-[(4-methoxycyclohexyl)methyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 160854933
3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 86304077
8-[[(1R,3S)-3-methoxycyclopentyl]methyl]-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 52933729
2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione
CID 68991149

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 153181286) is 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(CN2C(=O)CNc3ncc(-c4ccc(C5=NCC=N5)nc4)nc32)CC1.
What is the InChIKey of 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is WGFGNQJRJGIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-31-16-5-2-14(3-6-16)13-29-19(30)12-27-21-22(29)28-18(11-26-21)15-4-7-17(25-10-15)20-23-8-9-24-20/h4,7-8,10-11,14,16H,2-3,5-6,9,12-13H2,1H3,(H,26,27).
What are the key properties of 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 419.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 153181286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).