3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine

C20H25N5O — CID 171061100

IUPAC3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine
SMILESCCn1cnc2ncc(N3CCCC(COc4ccccc4C)C3)nc21
InChIInChI=1S/C20H25N5O/c1-3-24-14-22-19-20(24)23-18(11-21-19)25-10-6-8-16(12-25)13-26-17-9-5-4-7-15(17)2/h4-5,7,9,11,14,16H,3,6,8,10,12-13H2,1-2H3
InChIKeyHSSLNTXTJVIRKN-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.45
Rot. Bonds5

About 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine

3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine (PubChem CID 171061100) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine
PubChem CID171061100
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine
SMILESCCn1cnc2ncc(N3CCCC(COc4ccccc4C)C3)nc21
InChIInChI=1S/C20H25N5O/c1-3-24-14-22-19-20(24)23-18(11-21-19)25-10-6-8-16(12-25)13-26-17-9-5-4-7-15(17)2/h4-5,7,9,11,14,16H,3,6,8,10,12-13H2,1-2H3
InChIKeyHSSLNTXTJVIRKN-UHFFFAOYSA-N
XLogP3.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine?
The IUPAC name of 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine (CID 171061100) is 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine is CCn1cnc2ncc(N3CCCC(COc4ccccc4C)C3)nc21.
What is the InChIKey of 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine?
The InChIKey is HSSLNTXTJVIRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-24-14-22-19-20(24)23-18(11-21-19)25-10-6-8-16(12-25)13-26-17-9-5-4-7-15(17)2/h4-5,7,9,11,14,16H,3,6,8,10,12-13H2,1-2H3.
What are the key properties of 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine?
3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine has a molecular weight of 351.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 171061100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).