2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine

C20H30N6 — CID 110109866

IUPAC2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine
SMILESCN1CCC(N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)CC1
InChIInChI=1S/C20H30N6/c1-24-8-5-18(6-9-24)26-10-3-16(4-11-26)13-17-14-23-19(15-22-17)20-21-7-12-25(20)2/h7,12,14-16,18H,3-6,8-11,13H2,1-2H3
InChIKeyIZXZCFSONVOALV-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.23
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine

2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine (PubChem CID 110109866) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine
PubChem CID110109866
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine
SMILESCN1CCC(N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)CC1
InChIInChI=1S/C20H30N6/c1-24-8-5-18(6-9-24)26-10-3-16(4-11-26)13-17-14-23-19(15-22-17)20-21-7-12-25(20)2/h7,12,14-16,18H,3-6,8-11,13H2,1-2H3
InChIKeyIZXZCFSONVOALV-UHFFFAOYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine (CID 110109866) is 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine is CN1CCC(N2CCC(Cc3cnc(-c4nccn4C)cn3)CC2)CC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine?
The InChIKey is IZXZCFSONVOALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-24-8-5-18(6-9-24)26-10-3-16(4-11-26)13-17-14-23-19(15-22-17)20-21-7-12-25(20)2/h7,12,14-16,18H,3-6,8-11,13H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine?
2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine has a molecular weight of 354.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine is sourced from PubChem (CID 110109866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).