6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline

C21H15N5 — CID 86566651

IUPAC6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1
InChIInChI=1S/C21H15N5/c1-2-5-16(6-3-1)19-12-23-20-21(25-19)26(14-24-20)13-15-8-9-18-17(11-15)7-4-10-22-18/h1-12,14H,13H2
InChIKeyFRXWVBXCMDWKFC-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.09
Rot. Bonds3

About 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline

6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline (PubChem CID 86566651) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
PubChem CID86566651
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1
InChIInChI=1S/C21H15N5/c1-2-5-16(6-3-1)19-12-23-20-21(25-19)26(14-24-20)13-15-8-9-18-17(11-15)7-4-10-22-18/h1-12,14H,13H2
InChIKeyFRXWVBXCMDWKFC-UHFFFAOYSA-N
XLogP4.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline (CID 86566651) is 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline is c1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1.
What is the InChIKey of 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The InChIKey is FRXWVBXCMDWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c1-2-5-16(6-3-1)19-12-23-20-21(25-19)26(14-24-20)13-15-8-9-18-17(11-15)7-4-10-22-18/h1-12,14H,13H2.
What are the key properties of 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline?
6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline has a molecular weight of 337.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline is sourced from PubChem (CID 86566651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).