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

C22H21N7O — CID 155566463

IUPAC2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCc1c(C(C)n2cnc3ncc(-c4cnn(CCO)c4)nc32)ccc2ncccc12
InChIInChI=1S/C22H21N7O/c1-14-17(5-6-19-18(14)4-3-7-23-19)15(2)29-13-25-21-22(29)27-20(11-24-21)16-10-26-28(12-16)8-9-30/h3-7,10-13,15,30H,8-9H2,1-2H3
InChIKeyINZRTZKUXIIXQH-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.15
Rot. Bonds5

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

2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 155566463) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID155566463
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCc1c(C(C)n2cnc3ncc(-c4cnn(CCO)c4)nc32)ccc2ncccc12
InChIInChI=1S/C22H21N7O/c1-14-17(5-6-19-18(14)4-3-7-23-19)15(2)29-13-25-21-22(29)27-20(11-24-21)16-10-26-28(12-16)8-9-30/h3-7,10-13,15,30H,8-9H2,1-2H3
InChIKeyINZRTZKUXIIXQH-UHFFFAOYSA-N
XLogP3.15
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 155566463) is 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is Cc1c(C(C)n2cnc3ncc(-c4cnn(CCO)c4)nc32)ccc2ncccc12.
What is the InChIKey of 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is INZRTZKUXIIXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-14-17(5-6-19-18(14)4-3-7-23-19)15(2)29-13-25-21-22(29)27-20(11-24-21)16-10-26-28(12-16)8-9-30/h3-7,10-13,15,30H,8-9H2,1-2H3.
What are the key properties of 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 399.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 155566463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).