7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

C22H19F3N4O3S — CID 71558333

IUPAC7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2n1CC(F)(F)F
InChIInChI=1S/C22H19F3N4O3S/c23-22(24,25)13-29-18-11-14(7-8-16(18)20-17(21(29)30)12-26-27-20)15-5-1-2-6-19(15)33(31,32)28-9-3-4-10-28/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,26,27)
InChIKeyZVENSJJFUMQTPM-UHFFFAOYSA-N
MW476.48 g/mol
LogP3.89
Rot. Bonds4

About 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 71558333) has the molecular formula C22H19F3N4O3S and a molecular weight of 476.48 g/mol. Its IUPAC name is 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID71558333
Molecular FormulaC22H19F3N4O3S
Molecular Weight476.48 g/mol
Exact Mass476.11
IUPAC Name7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2n1CC(F)(F)F
InChIInChI=1S/C22H19F3N4O3S/c23-22(24,25)13-29-18-11-14(7-8-16(18)20-17(21(29)30)12-26-27-20)15-5-1-2-6-19(15)33(31,32)28-9-3-4-10-28/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,26,27)
InChIKeyZVENSJJFUMQTPM-UHFFFAOYSA-N
XLogP3.89
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one 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 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (CID 71558333) is 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is O=c1c2cn[nH]c2c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2n1CC(F)(F)F.
What is the InChIKey of 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is ZVENSJJFUMQTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3S/c23-22(24,25)13-29-18-11-14(7-8-16(18)20-17(21(29)30)12-26-27-20)15-5-1-2-6-19(15)33(31,32)28-9-3-4-10-28/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,26,27).
What are the key properties of 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 476.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyrrolidin-1-ylsulfonylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71558333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).