9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

C19H18F3N7 — CID 155151602

IUPAC9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESCN1CCN(c2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)CC1
InChIInChI=1S/C19H18F3N7/c1-28-4-6-29(7-5-28)16-8-15(12-10-24-27-18(12)19(20,21)22)25-14-3-2-13-11(17(14)16)9-23-26-13/h2-3,8-10H,4-7H2,1H3,(H,23,26)(H,24,27)
InChIKeyJDZNZYIEQUPBAP-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.27
Rot. Bonds2

About 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (PubChem CID 155151602) has the molecular formula C19H18F3N7 and a molecular weight of 401.40 g/mol. Its IUPAC name is 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
PubChem CID155151602
Molecular FormulaC19H18F3N7
Molecular Weight401.40 g/mol
Exact Mass401.16
IUPAC Name9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESCN1CCN(c2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)CC1
InChIInChI=1S/C19H18F3N7/c1-28-4-6-29(7-5-28)16-8-15(12-10-24-27-18(12)19(20,21)22)25-14-3-2-13-11(17(14)16)9-23-26-13/h2-3,8-10H,4-7H2,1H3,(H,23,26)(H,24,27)
InChIKeyJDZNZYIEQUPBAP-UHFFFAOYSA-N
XLogP3.27
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 164609817
11-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaene
CID 150409843
N-(4,6-dimethylpyrimidin-2-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
CID 155151708
9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline
CID 159584780
4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline
CID 143957660
9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 155619047
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
CID 155151626
5-fluoro-9-methylsulfanyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 162609538
5-fluoro-9-methylsulfonyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine
CID 155151948
[1-[2-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-7,8,9,10-tetrahydrophenanthridin-1-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethylidene]azanium
CID 142445478
2-[4-[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-indol-3-yl]piperazin-1-yl]ethanol
CID 155151651

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (CID 155151602) is 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is CN1CCN(c2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4[nH]ncc4c23)CC1.
What is the InChIKey of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The InChIKey is JDZNZYIEQUPBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7/c1-28-4-6-29(7-5-28)16-8-15(12-10-24-27-18(12)19(20,21)22)25-14-3-2-13-11(17(14)16)9-23-26-13/h2-3,8-10H,4-7H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline has a molecular weight of 401.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 155151602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).