2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine

C19H22N6 — CID 110099748

IUPAC2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine
SMILESCc1cnc(-c2cnc(CC3CCN(c4ccccn4)CC3)cn2)[nH]1
InChIInChI=1S/C19H22N6/c1-14-11-23-19(24-14)17-13-21-16(12-22-17)10-15-5-8-25(9-6-15)18-4-2-3-7-20-18/h2-4,7,11-13,15H,5-6,8-10H2,1H3,(H,23,24)
InChIKeyYIBRJJXKPCCMRU-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.03
Rot. Bonds4

About 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine

2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine (PubChem CID 110099748) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine
PubChem CID110099748
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine
SMILESCc1cnc(-c2cnc(CC3CCN(c4ccccn4)CC3)cn2)[nH]1
InChIInChI=1S/C19H22N6/c1-14-11-23-19(24-14)17-13-21-16(12-22-17)10-15-5-8-25(9-6-15)18-4-2-3-7-20-18/h2-4,7,11-13,15H,5-6,8-10H2,1H3,(H,23,24)
InChIKeyYIBRJJXKPCCMRU-UHFFFAOYSA-N
XLogP3.03
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine (CID 110099748) is 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine is Cc1cnc(-c2cnc(CC3CCN(c4ccccn4)CC3)cn2)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine?
The InChIKey is YIBRJJXKPCCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-11-23-19(24-14)17-13-21-16(12-22-17)10-15-5-8-25(9-6-15)18-4-2-3-7-20-18/h2-4,7,11-13,15H,5-6,8-10H2,1H3,(H,23,24).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine?
2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine has a molecular weight of 334.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine is sourced from PubChem (CID 110099748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).