7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

C25H24F3N5O — CID 71559245

IUPAC7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc2n1CC(F)(F)F
InChIInChI=1S/C25H24F3N5O/c26-25(27,28)15-33-22-13-17(4-7-20(22)23-21(24(33)34)14-29-30-23)16-2-1-3-19(12-16)32-10-8-31(9-11-32)18-5-6-18/h1-4,7,12-14,18H,5-6,8-11,15H2,(H,29,30)
InChIKeyHYYAFKJJYXRPKV-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.39
Rot. Bonds4

About 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one

7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 71559245) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID71559245
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1c2cn[nH]c2c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc2n1CC(F)(F)F
InChIInChI=1S/C25H24F3N5O/c26-25(27,28)15-33-22-13-17(4-7-20(22)23-21(24(33)34)14-29-30-23)16-2-1-3-19(12-16)32-10-8-31(9-11-32)18-5-6-18/h1-4,7,12-14,18H,5-6,8-11,15H2,(H,29,30)
InChIKeyHYYAFKJJYXRPKV-UHFFFAOYSA-N
XLogP4.39
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-amino-2,2-difluoropropyl)-7,8-dicyclohexyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443800
N-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-(1H-indazol-6-yl)-4-methylbenzamide
CID 155542710
3-(1H-indazol-6-yl)-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 155552114
7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180349
US10464919, Example 151
CID 154584646
7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180348
5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180350
2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide
CID 122180351
7-[2-[(cyclopropylamino)methyl]phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one
CID 122180356
(3-anilinopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45171242
5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 126799516
17-[3-[(3,4-Difluorophenyl)methylamino]propyl]-14-methyl-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-16-one
CID 11711794

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one (CID 71559245) is 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is O=c1c2cn[nH]c2c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc2n1CC(F)(F)F.
What is the InChIKey of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is HYYAFKJJYXRPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c26-25(27,28)15-33-22-13-17(4-7-20(22)23-21(24(33)34)14-29-30-23)16-2-1-3-19(12-16)32-10-8-31(9-11-32)18-5-6-18/h1-4,7,12-14,18H,5-6,8-11,15H2,(H,29,30).
What are the key properties of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 467.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71559245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).