2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine

C22H24N4O3 — CID 71085880

IUPAC2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)c(C)nc2-c2cncc(OC)c2)nc1
InChIInChI=1S/C22H24N4O3/c1-13-14(2)26-22(21(25-13)15-7-18(28-4)10-23-9-15)29-12-16-8-19(16)20-6-5-17(27-3)11-24-20/h5-7,9-11,16,19H,8,12H2,1-4H3/t16-,19+/m1/s1
InChIKeyXWTSGLRGJLFIKB-APWZRJJASA-N
MW392.46 g/mol
LogP3.75
Rot. Bonds7

About 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine

2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine (PubChem CID 71085880) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine
PubChem CID71085880
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)c(C)nc2-c2cncc(OC)c2)nc1
InChIInChI=1S/C22H24N4O3/c1-13-14(2)26-22(21(25-13)15-7-18(28-4)10-23-9-15)29-12-16-8-19(16)20-6-5-17(27-3)11-24-20/h5-7,9-11,16,19H,8,12H2,1-4H3/t16-,19+/m1/s1
InChIKeyXWTSGLRGJLFIKB-APWZRJJASA-N
XLogP3.75
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine (CID 71085880) is 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)c(C)nc2-c2cncc(OC)c2)nc1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine?
The InChIKey is XWTSGLRGJLFIKB-APWZRJJASA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-14(2)26-22(21(25-13)15-7-18(28-4)10-23-9-15)29-12-16-8-19(16)20-6-5-17(27-3)11-24-20/h5-7,9-11,16,19H,8,12H2,1-4H3/t16-,19+/m1/s1.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine?
2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine has a molecular weight of 392.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine is sourced from PubChem (CID 71085880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).