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

C20H22N8O2 — CID 46214224

IUPAC8-[(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
SMILESCO[C@@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)C1
InChIInChI=1S/C20H22N8O2/c1-11-14(5-6-15(24-11)18-22-10-23-27-18)16-8-21-19-20(25-16)28(9-17(29)26-19)12-3-4-13(7-12)30-2/h5-6,8,10,12-13H,3-4,7,9H2,1-2H3,(H,21,26,29)(H,22,23,27)/t12-,13-/m1/s1
InChIKeyPRRWMVAYVIIEBP-CHWSQXEVSA-N
MW406.45 g/mol
LogP1.96
Rot. Bonds4

About 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

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 (PubChem CID 46214224) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(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
PubChem CID46214224
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name8-[(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
SMILESCO[C@@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)C1
InChIInChI=1S/C20H22N8O2/c1-11-14(5-6-15(24-11)18-22-10-23-27-18)16-8-21-19-20(25-16)28(9-17(29)26-19)12-3-4-13(7-12)30-2/h5-6,8,10,12-13H,3-4,7,9H2,1-2H3,(H,21,26,29)(H,22,23,27)/t12-,13-/m1/s1
InChIKeyPRRWMVAYVIIEBP-CHWSQXEVSA-N
XLogP1.96
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215563
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-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
5-[8-(4-methoxycyclohexyl)-6-oxo-5,7-dihydropyrazino[2,3-b]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 66608109
ethene;5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 144947864
8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46216571
8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 158826689
4-[(2S)-2-ethyl-4-[5-[5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-6-oxo-7H-pyrazino[2,3-b]pyrazin-8-yl]pentoxy]piperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 153291453
2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-piperidin-4-yl-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215382

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(-c5ncn[nH]5)nc4C)nc32)C1.
What is the InChIKey of 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?
The InChIKey is PRRWMVAYVIIEBP-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-11-14(5-6-15(24-11)18-22-10-23-27-18)16-8-21-19-20(25-16)28(9-17(29)26-19)12-3-4-13(7-12)30-2/h5-6,8,10,12-13H,3-4,7,9H2,1-2H3,(H,21,26,29)(H,22,23,27)/t12-,13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 406.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46214224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).