2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C20H17N7O — CID 86566702

IUPAC2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C20H17N7O/c28-7-6-27-12-16(9-24-27)18-10-22-19-20(25-18)26(13-23-19)11-14-3-4-17-15(8-14)2-1-5-21-17/h1-5,8-10,12-13,28H,6-7,11H2
InChIKeyFFXYYAZYNXBZOD-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 86566702) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID86566702
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C20H17N7O/c28-7-6-27-12-16(9-24-27)18-10-22-19-20(25-18)26(13-23-19)11-14-3-4-17-15(8-14)2-1-5-21-17/h1-5,8-10,12-13,28H,6-7,11H2
InChIKeyFFXYYAZYNXBZOD-UHFFFAOYSA-N
XLogP2.28
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 86566702) is 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1.
What is the InChIKey of 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is FFXYYAZYNXBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c28-7-6-27-12-16(9-24-27)18-10-22-19-20(25-18)26(13-23-19)11-14-3-4-17-15(8-14)2-1-5-21-17/h1-5,8-10,12-13,28H,6-7,11H2.
What are the key properties of 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 371.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 86566702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).