3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C21H25N5O4 — CID 172739416

IUPAC3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(=O)C(C)O)nc4)nc32)CC1
InChIInChI=1S/C21H25N5O4/c1-12(27)19(29)16-8-3-13(9-22-16)17-10-23-20-21(25-17)26(18(28)11-24-20)14-4-6-15(30-2)7-5-14/h3,8-10,12,14-15,27H,4-7,11H2,1-2H3,(H,23,24)
InChIKeyIWSUJKWRMINVCS-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.82
Rot. Bonds5

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

3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 172739416) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID172739416
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(=O)C(C)O)nc4)nc32)CC1
InChIInChI=1S/C21H25N5O4/c1-12(27)19(29)16-8-3-13(9-22-16)17-10-23-20-21(25-17)26(18(28)11-24-20)14-4-6-15(30-2)7-5-14/h3,8-10,12,14-15,27H,4-7,11H2,1-2H3,(H,23,24)
InChIKeyIWSUJKWRMINVCS-UHFFFAOYSA-N
XLogP1.82
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66716343
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
3-[6-(4H-imidazol-2-yl)-3-pyridinyl]-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 153181286
3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453124
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453063
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-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 66608109
3-(5H-cyclopenta[b]pyridin-2-yl)-5-ethyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 147437860
2-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215037
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
8-[(1R,3R)-3-methoxycyclopentyl]-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46214224
2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
CID 165419000

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 172739416) is 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(N2C(=O)CNc3ncc(-c4ccc(C(=O)C(C)O)nc4)nc32)CC1.
What is the InChIKey of 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is IWSUJKWRMINVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-12(27)19(29)16-8-3-13(9-22-16)17-10-23-20-21(25-17)26(18(28)11-24-20)14-4-6-15(30-2)7-5-14/h3,8-10,12,14-15,27H,4-7,11H2,1-2H3,(H,23,24).
What are the key properties of 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 411.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 172739416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).