2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine

C18H27N5 — CID 124949567

IUPAC2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine
SMILESCc1ncc(-c2nccnc2[C@H]2CCCN(CC(C)C)C2)n1C
InChIInChI=1S/C18H27N5/c1-13(2)11-23-9-5-6-15(12-23)17-18(20-8-7-19-17)16-10-21-14(3)22(16)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3/t15-/m0/s1
InChIKeyCUYJRMQPNXLDML-HNNXBMFYSA-N
MW313.45 g/mol
LogP3.02
Rot. Bonds4

About 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine

2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine (PubChem CID 124949567) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine
PubChem CID124949567
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine
SMILESCc1ncc(-c2nccnc2[C@H]2CCCN(CC(C)C)C2)n1C
InChIInChI=1S/C18H27N5/c1-13(2)11-23-9-5-6-15(12-23)17-18(20-8-7-19-17)16-10-21-14(3)22(16)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3/t15-/m0/s1
InChIKeyCUYJRMQPNXLDML-HNNXBMFYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110131823
1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124964605
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110840
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110109922
2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine
CID 110130910
2-(2-methylpyrazol-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
CID 110101538
4-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 95821349
2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine
CID 110110158
2-(2,3-dimethylimidazol-4-yl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 125005520
1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110095283
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine (CID 124949567) is 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine is Cc1ncc(-c2nccnc2[C@H]2CCCN(CC(C)C)C2)n1C.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine?
The InChIKey is CUYJRMQPNXLDML-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13(2)11-23-9-5-6-15(12-23)17-18(20-8-7-19-17)16-10-21-14(3)22(16)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine?
2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine has a molecular weight of 313.45 g/mol, XLogP of 3.02, 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)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine is sourced from PubChem (CID 124949567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).