2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine

C21H19N5O — CID 29151786

IUPAC2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
SMILESCOc1nccnc1-c1cccc(-c2ccn(Cc3ncccc3C)n2)c1
InChIInChI=1S/C21H19N5O/c1-15-5-4-9-22-19(15)14-26-12-8-18(25-26)16-6-3-7-17(13-16)20-21(27-2)24-11-10-23-20/h3-13H,14H2,1-2H3
InChIKeyFXNGJABMJZFMJK-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.77
Rot. Bonds5

About 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine

2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine (PubChem CID 29151786) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
PubChem CID29151786
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
SMILESCOc1nccnc1-c1cccc(-c2ccn(Cc3ncccc3C)n2)c1
InChIInChI=1S/C21H19N5O/c1-15-5-4-9-22-19(15)14-26-12-8-18(25-26)16-6-3-7-17(13-16)20-21(27-2)24-11-10-23-20/h3-13H,14H2,1-2H3
InChIKeyFXNGJABMJZFMJK-UHFFFAOYSA-N
XLogP3.77
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
CID 30897324
2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
CID 45206673
2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine
CID 29152748
2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
CID 137461204
4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine
CID 28822694
3-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516184
4-(3-methoxypyrazin-2-yl)-2-methylaniline
CID 104516164
3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole
CID 29028181
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
2-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]-N-pyrazin-2-ylacetamide
CID 30869523
methyl 1-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxylate
CID 112549863

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine (CID 29151786) is 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine is COc1nccnc1-c1cccc(-c2ccn(Cc3ncccc3C)n2)c1.
What is the InChIKey of 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is FXNGJABMJZFMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-5-4-9-22-19(15)14-26-12-8-18(25-26)16-6-3-7-17(13-16)20-21(27-2)24-11-10-23-20/h3-13H,14H2,1-2H3.
What are the key properties of 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine?
2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 357.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 29151786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).