2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol

C18H17F3N6O — CID 155152033

IUPAC2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol
SMILESCCN(CCO)c1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C18H17F3N6O/c1-2-27(5-6-28)15-7-14(11-9-23-26-17(11)18(19,20)21)24-13-4-3-12-10(16(13)15)8-22-25-12/h3-4,7-9,28H,2,5-6H2,1H3,(H,22,25)(H,23,26)
InChIKeyDAEJRQGVWRWYFX-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.34
Rot. Bonds5

About 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol

2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol (PubChem CID 155152033) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol
PubChem CID155152033
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC Name2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol
SMILESCCN(CCO)c1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C18H17F3N6O/c1-2-27(5-6-28)15-7-14(11-9-23-26-17(11)18(19,20)21)24-13-4-3-12-10(16(13)15)8-22-25-12/h3-4,7-9,28H,2,5-6H2,1H3,(H,22,25)(H,23,26)
InChIKeyDAEJRQGVWRWYFX-UHFFFAOYSA-N
XLogP3.34
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol (CID 155152033) is 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol is CCN(CCO)c1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12.
What is the InChIKey of 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol?
The InChIKey is DAEJRQGVWRWYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O/c1-2-27(5-6-28)15-7-14(11-9-23-26-17(11)18(19,20)21)24-13-4-3-12-10(16(13)15)8-22-25-12/h3-4,7-9,28H,2,5-6H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol?
2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol has a molecular weight of 390.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol is sourced from PubChem (CID 155152033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).