7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline

C25H26F3N5 — CID 152710749

IUPAC7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESFC(F)(F)CN1Cc2cn[nH]c2-c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc21
InChIInChI=1S/C25H26F3N5/c26-25(27,28)16-33-15-19-14-29-30-24(19)22-7-4-18(13-23(22)33)17-2-1-3-21(12-17)32-10-8-31(9-11-32)20-5-6-20/h1-4,7,12-14,20H,5-6,8-11,15-16H2,(H,29,30)
InChIKeyZTNXGTGVFYVKCA-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.91
Rot. Bonds4

About 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline

7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 152710749) has the molecular formula C25H26F3N5 and a molecular weight of 453.51 g/mol. Its IUPAC name is 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID152710749
Molecular FormulaC25H26F3N5
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESFC(F)(F)CN1Cc2cn[nH]c2-c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc21
InChIInChI=1S/C25H26F3N5/c26-25(27,28)16-33-15-19-14-29-30-24(19)22-7-4-18(13-23(22)33)17-2-1-3-21(12-17)32-10-8-31(9-11-32)20-5-6-20/h1-4,7,12-14,20H,5-6,8-11,15-16H2,(H,29,30)
InChIKeyZTNXGTGVFYVKCA-UHFFFAOYSA-N
XLogP4.91
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline with MolForge

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Related Compounds

7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one
CID 71559245
5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline
CID 141318171
2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 56854779
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
7-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 86679814
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
1-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 30723061
1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepane
CID 31105427
4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one
CID 30957525
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 123982141

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline (CID 152710749) is 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline is FC(F)(F)CN1Cc2cn[nH]c2-c2ccc(-c3cccc(N4CCN(C5CC5)CC4)c3)cc21.
What is the InChIKey of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is ZTNXGTGVFYVKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5/c26-25(27,28)16-33-15-19-14-29-30-24(19)22-7-4-18(13-23(22)33)17-2-1-3-21(12-17)32-10-8-31(9-11-32)20-5-6-20/h1-4,7,12-14,20H,5-6,8-11,15-16H2,(H,29,30).
What are the key properties of 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 453.51 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 152710749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).