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

C19H11F3N6 — CID 164609817

IUPAC9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1[nH]ncc1-c1cc(-c2ccncc2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)18-13(9-25-28-18)16-7-11(10-3-5-23-6-4-10)17-12-8-24-27-14(12)1-2-15(17)26-16/h1-9H,(H,24,27)(H,25,28)
InChIKeyAQBNCJIJBNRHMN-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.58
Rot. Bonds2

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

9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (PubChem CID 164609817) has the molecular formula C19H11F3N6 and a molecular weight of 380.33 g/mol. Its IUPAC name is 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
PubChem CID164609817
Molecular FormulaC19H11F3N6
Molecular Weight380.33 g/mol
Exact Mass380.10
IUPAC Name9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1[nH]ncc1-c1cc(-c2ccncc2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)18-13(9-25-28-18)16-7-11(10-3-5-23-6-4-10)17-12-8-24-27-14(12)1-2-15(17)26-16/h1-9H,(H,24,27)(H,25,28)
InChIKeyAQBNCJIJBNRHMN-UHFFFAOYSA-N
XLogP4.58
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 155151602
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
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
CID 155151626
1-pyridin-4-ylsulfonyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 155151798
5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine
CID 3694575
5-methoxy-6-pyridin-4-yl-1H-indazole
CID 166635017
4-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 134375602
1-(4-bromophenyl)-3-pyridin-4-ylbenzo[f]quinoline
CID 2248141
1-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 164624891

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (CID 164609817) is 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is FC(F)(F)c1[nH]ncc1-c1cc(-c2ccncc2)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The InChIKey is AQBNCJIJBNRHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6/c20-19(21,22)18-13(9-25-28-18)16-7-11(10-3-5-23-6-4-10)17-12-8-24-27-14(12)1-2-15(17)26-16/h1-9H,(H,24,27)(H,25,28).
What are the key properties of 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline has a molecular weight of 380.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-4-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 164609817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).