2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol

C22H19N5O — CID 71739815

IUPAC2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1
InChIInChI=1S/C22H19N5O/c28-9-8-26-15-20(12-24-26)17-4-5-19-14-27(25-22(19)11-17)13-16-3-6-21-18(10-16)2-1-7-23-21/h1-7,10-12,14-15,28H,8-9,13H2
InChIKeyQONCLFMRNBSJDL-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.49
Rot. Bonds5

About 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol

2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol (PubChem CID 71739815) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
PubChem CID71739815
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1
InChIInChI=1S/C22H19N5O/c28-9-8-26-15-20(12-24-26)17-4-5-19-14-27(25-22(19)11-17)13-16-3-6-21-18(10-16)2-1-7-23-21/h1-7,10-12,14-15,28H,8-9,13H2
InChIKeyQONCLFMRNBSJDL-UHFFFAOYSA-N
XLogP3.49
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol (CID 71739815) is 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1.
What is the InChIKey of 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
The InChIKey is QONCLFMRNBSJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-9-8-26-15-20(12-24-26)17-4-5-19-14-27(25-22(19)11-17)13-16-3-6-21-18(10-16)2-1-7-23-21/h1-7,10-12,14-15,28H,8-9,13H2.
What are the key properties of 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol has a molecular weight of 369.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71739815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).