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

C20H24N6 — CID 110130910

IUPAC2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine
SMILESCc1ncc(-c2nccnc2C2CCN(Cc3cccnc3)CC2)n1C
InChIInChI=1S/C20H24N6/c1-15-24-13-18(25(15)2)20-19(22-8-9-23-20)17-5-10-26(11-6-17)14-16-4-3-7-21-12-16/h3-4,7-9,12-13,17H,5-6,10-11,14H2,1-2H3
InChIKeyIAMYWHUKJYUPOK-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.96
Rot. Bonds4

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

2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine (PubChem CID 110130910) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine
PubChem CID110130910
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine
SMILESCc1ncc(-c2nccnc2C2CCN(Cc3cccnc3)CC2)n1C
InChIInChI=1S/C20H24N6/c1-15-24-13-18(25(15)2)20-19(22-8-9-23-20)17-5-10-26(11-6-17)14-16-4-3-7-21-12-16/h3-4,7-9,12-13,17H,5-6,10-11,14H2,1-2H3
InChIKeyIAMYWHUKJYUPOK-UHFFFAOYSA-N
XLogP2.96
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
CID 110100532
3-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72888558
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124941674
3-[[4-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72873695
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110131823

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine (CID 110130910) is 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine is Cc1ncc(-c2nccnc2C2CCN(Cc3cccnc3)CC2)n1C.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine?
The InChIKey is IAMYWHUKJYUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-24-13-18(25(15)2)20-19(22-8-9-23-20)17-5-10-26(11-6-17)14-16-4-3-7-21-12-16/h3-4,7-9,12-13,17H,5-6,10-11,14H2,1-2H3.
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine?
2-(2,3-dimethylimidazol-4-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine has a molecular weight of 348.45 g/mol, XLogP of 2.96, 4 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)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazine is sourced from PubChem (CID 110130910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).