2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine

C21H26N6 — CID 110100532

IUPAC2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
SMILESCc1ncc(-c2cncc(CC3CCN(Cc4cccnc4)CC3)n2)n1C
InChIInChI=1S/C21H26N6/c1-16-24-14-21(26(16)2)20-13-23-12-19(25-20)10-17-5-8-27(9-6-17)15-18-4-3-7-22-11-18/h3-4,7,11-14,17H,5-6,8-10,15H2,1-2H3
InChIKeyOZLBICBXRSLZKC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.04
Rot. Bonds5

About 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine

2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine (PubChem CID 110100532) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
PubChem CID110100532
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
SMILESCc1ncc(-c2cncc(CC3CCN(Cc4cccnc4)CC3)n2)n1C
InChIInChI=1S/C21H26N6/c1-16-24-14-21(26(16)2)20-13-23-12-19(25-20)10-17-5-8-27(9-6-17)15-18-4-3-7-22-11-18/h3-4,7,11-14,17H,5-6,8-10,15H2,1-2H3
InChIKeyOZLBICBXRSLZKC-UHFFFAOYSA-N
XLogP3.04
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine
CID 110130910
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110110265
2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
CID 161026783
N-[[5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095583
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110110266
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
1-[(3R)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 124955333
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
3-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72888558
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
CID 95809192

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine (CID 110100532) is 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine is Cc1ncc(-c2cncc(CC3CCN(Cc4cccnc4)CC3)n2)n1C.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
The InChIKey is OZLBICBXRSLZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-16-24-14-21(26(16)2)20-13-23-12-19(25-20)10-17-5-8-27(9-6-17)15-18-4-3-7-22-11-18/h3-4,7,11-14,17H,5-6,8-10,15H2,1-2H3.
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine?
2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine has a molecular weight of 362.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine is sourced from PubChem (CID 110100532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).