2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine

C18H27N5 — CID 110130970

IUPAC2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
SMILESCc1ncc(-c2cnc(CC3CCCN(C(C)C)C3)cn2)n1C
InChIInChI=1S/C18H27N5/c1-13(2)23-7-5-6-15(12-23)8-16-9-21-17(10-20-16)18-11-19-14(3)22(18)4/h9-11,13,15H,5-8,12H2,1-4H3
InChIKeyDGFAHXIHNXCEAG-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.85
Rot. Bonds4

About 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine

2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine (PubChem CID 110130970) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
PubChem CID110130970
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
SMILESCc1ncc(-c2cnc(CC3CCCN(C(C)C)C3)cn2)n1C
InChIInChI=1S/C18H27N5/c1-13(2)23-7-5-6-15(12-23)8-16-9-21-17(10-20-16)18-11-19-14(3)22(18)4/h9-11,13,15H,5-8,12H2,1-4H3
InChIKeyDGFAHXIHNXCEAG-UHFFFAOYSA-N
XLogP2.85
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1H-pyrazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
CID 110102383
2-[5-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125007571
2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine
CID 110102408
2-(2,3-dimethylimidazol-4-yl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 125005520
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
CID 110102409
2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110101426
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102304
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124942713
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 125008856

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine (CID 110130970) is 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine is Cc1ncc(-c2cnc(CC3CCCN(C(C)C)C3)cn2)n1C.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
The InChIKey is DGFAHXIHNXCEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13(2)23-7-5-6-15(12-23)8-16-9-21-17(10-20-16)18-11-19-14(3)22(18)4/h9-11,13,15H,5-8,12H2,1-4H3.
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine has a molecular weight of 313.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine is sourced from PubChem (CID 110130970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).