2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine

C19H23N7 — CID 125021370

IUPAC2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
SMILESCn1ccnc1-c1nccnc1C[C@@H]1CCCN(Cc2cnccn2)C1
InChIInChI=1S/C19H23N7/c1-25-10-8-24-19(25)18-17(22-6-7-23-18)11-15-3-2-9-26(13-15)14-16-12-20-4-5-21-16/h4-8,10,12,15H,2-3,9,11,13-14H2,1H3/t15-/m0/s1
InChIKeyYJEXNYNWFZRIKL-HNNXBMFYSA-N
MW349.44 g/mol
LogP2.12
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine

2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine (PubChem CID 125021370) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
PubChem CID125021370
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
SMILESCn1ccnc1-c1nccnc1C[C@@H]1CCCN(Cc2cnccn2)C1
InChIInChI=1S/C19H23N7/c1-25-10-8-24-19(25)18-17(22-6-7-23-18)11-15-3-2-9-26(13-15)14-16-12-20-4-5-21-16/h4-8,10,12,15H,2-3,9,11,13-14H2,1H3/t15-/m0/s1
InChIKeyYJEXNYNWFZRIKL-HNNXBMFYSA-N
XLogP2.12
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine (CID 125021370) is 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine is Cn1ccnc1-c1nccnc1C[C@@H]1CCCN(Cc2cnccn2)C1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine?
The InChIKey is YJEXNYNWFZRIKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N7/c1-25-10-8-24-19(25)18-17(22-6-7-23-18)11-15-3-2-9-26(13-15)14-16-12-20-4-5-21-16/h4-8,10,12,15H,2-3,9,11,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine?
2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine has a molecular weight of 349.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine is sourced from PubChem (CID 125021370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).