5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide

C20H24N6O3 — CID 66608109

IUPAC5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4cnc(C(N)=O)cc4C)nc32)CC1
InChIInChI=1S/C20H24N6O3/c1-11-7-15(18(21)28)22-8-14(11)16-9-23-19-20(24-16)26(10-17(27)25-19)12-3-5-13(29-2)6-4-12/h7-9,12-13H,3-6,10H2,1-2H3,(H2,21,28)(H,23,25,27)
InChIKeyOCSPQJXVGHARNB-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.66
Rot. Bonds4

About 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide

5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide (PubChem CID 66608109) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
PubChem CID66608109
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
SMILESCOC1CCC(N2CC(=O)Nc3ncc(-c4cnc(C(N)=O)cc4C)nc32)CC1
InChIInChI=1S/C20H24N6O3/c1-11-7-15(18(21)28)22-8-14(11)16-9-23-19-20(24-16)26(10-17(27)25-19)12-3-5-13(29-2)6-4-12/h7-9,12-13H,3-6,10H2,1-2H3,(H2,21,28)(H,23,25,27)
InChIKeyOCSPQJXVGHARNB-UHFFFAOYSA-N
XLogP1.66
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-[(3S)-3-methoxycyclopentyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453063
4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboxamide
CID 66604018
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
2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 149320416
8-cyclohexyl-2-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66603686
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215382
8-cyclopentyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;methanol;molecular hydrogen
CID 161067279
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 162025839
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
3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 172739416
N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide
CID 66604103

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide?
The IUPAC name of 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide (CID 66608109) is 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide is COC1CCC(N2CC(=O)Nc3ncc(-c4cnc(C(N)=O)cc4C)nc32)CC1.
What is the InChIKey of 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide?
The InChIKey is OCSPQJXVGHARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-11-7-15(18(21)28)22-8-14(11)16-9-23-19-20(24-16)26(10-17(27)25-19)12-3-5-13(29-2)6-4-12/h7-9,12-13H,3-6,10H2,1-2H3,(H2,21,28)(H,23,25,27).
What are the key properties of 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide?
5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 66608109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).