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

C22H19N5O — CID 71739810

IUPAC2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3cnn(Cc4ccc5ncccc5c4)c3c2)cn1
InChIInChI=1S/C22H19N5O/c28-9-8-26-15-20(13-24-26)17-4-5-19-12-25-27(22(19)11-17)14-16-3-6-21-18(10-16)2-1-7-23-21/h1-7,10-13,15,28H,8-9,14H2
InChIKeyVXDNOGKPNKBTFZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.49
Rot. Bonds5

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

2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol (PubChem CID 71739810) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
PubChem CID71739810
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc3cnn(Cc4ccc5ncccc5c4)c3c2)cn1
InChIInChI=1S/C22H19N5O/c28-9-8-26-15-20(13-24-26)17-4-5-19-12-25-27(22(19)11-17)14-16-3-6-21-18(10-16)2-1-7-23-21/h1-7,10-13,15,28H,8-9,14H2
InChIKeyVXDNOGKPNKBTFZ-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-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol (CID 71739810) is 2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2ccc3cnn(Cc4ccc5ncccc5c4)c3c2)cn1.
What is the InChIKey of 2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
The InChIKey is VXDNOGKPNKBTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-9-8-26-15-20(13-24-26)17-4-5-19-12-25-27(22(19)11-17)14-16-3-6-21-18(10-16)2-1-7-23-21/h1-7,10-13,15,28H,8-9,14H2.
What are the key properties of 2-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol?
2-[4-[1-(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-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71739810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).