2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine

C20H25N7 — CID 110100546

IUPAC2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine
SMILESCc1nccc(N2CCCC(Cc3nccnc3-c3cnc(C)n3C)C2)n1
InChIInChI=1S/C20H25N7/c1-14-21-7-6-19(25-14)27-10-4-5-16(13-27)11-17-20(23-9-8-22-17)18-12-24-15(2)26(18)3/h6-9,12,16H,4-5,10-11,13H2,1-3H3
InChIKeyFEXYVTQECCTNNH-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.74
Rot. Bonds4

About 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine

2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine (PubChem CID 110100546) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine
PubChem CID110100546
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine
SMILESCc1nccc(N2CCCC(Cc3nccnc3-c3cnc(C)n3C)C2)n1
InChIInChI=1S/C20H25N7/c1-14-21-7-6-19(25-14)27-10-4-5-16(13-27)11-17-20(23-9-8-22-17)18-12-24-15(2)26(18)3/h6-9,12,16H,4-5,10-11,13H2,1-3H3
InChIKeyFEXYVTQECCTNNH-UHFFFAOYSA-N
XLogP2.74
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine with MolForge

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Related Compounds

2-(2,3-dimethylimidazol-4-yl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]pyrazine
CID 125004932
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine
CID 123680686
[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110580
[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 175656644
N,N-dimethyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095072
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
N-methyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095070
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815880
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815881

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine (CID 110100546) is 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine is Cc1nccc(N2CCCC(Cc3nccnc3-c3cnc(C)n3C)C2)n1.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine?
The InChIKey is FEXYVTQECCTNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-14-21-7-6-19(25-14)27-10-4-5-16(13-27)11-17-20(23-9-8-22-17)18-12-24-15(2)26(18)3/h6-9,12,16H,4-5,10-11,13H2,1-3H3.
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine?
2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine has a molecular weight of 363.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 110100546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).