3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine

C31H18F6N6 — CID 170983852

IUPAC3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine
SMILESFC(F)(F)c1cn[nH]c1-c1cccnc1-c1ccc2c(c1-c1ncccc1-c1[nH]ncc1C(F)(F)F)Cc1ccccc1-2
InChIInChI=1S/C31H18F6N6/c32-30(33,34)23-14-40-42-27(23)20-7-3-11-38-26(20)19-10-9-18-17-6-2-1-5-16(17)13-22(18)25(19)29-21(8-4-12-39-29)28-24(15-41-43-28)31(35,36)37/h1-12,14-15H,13H2,(H,40,42)(H,41,43)
InChIKeyABMFNWWYWMUMFB-UHFFFAOYSA-N
MW588.52 g/mol
LogP8.20
Rot. Bonds4

About 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine

3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine (PubChem CID 170983852) has the molecular formula C31H18F6N6 and a molecular weight of 588.52 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine
PubChem CID170983852
Molecular FormulaC31H18F6N6
Molecular Weight588.52 g/mol
Exact Mass588.15
IUPAC Name3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine
SMILESFC(F)(F)c1cn[nH]c1-c1cccnc1-c1ccc2c(c1-c1ncccc1-c1[nH]ncc1C(F)(F)F)Cc1ccccc1-2
InChIInChI=1S/C31H18F6N6/c32-30(33,34)23-14-40-42-27(23)20-7-3-11-38-26(20)19-10-9-18-17-6-2-1-5-16(17)13-22(18)25(19)29-21(8-4-12-39-29)28-24(15-41-43-28)31(35,36)37/h1-12,14-15H,13H2,(H,40,42)(H,41,43)
InChIKeyABMFNWWYWMUMFB-UHFFFAOYSA-N
XLogP8.20
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.52
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
6-(1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole
CID 11516491
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
Pyrazole-based inhibitor, 1
CID 91051236
(NE)-N-[5-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135466457
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
4-(4-{2H,4H-indeno[1,2-c]pyrazol-6-yl}-1-methyl-1H-pyrazol-3-yl)pyridine
CID 25093326
cis-4-(4-(2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl)cyclohexanamine
CID 54582676
6-(1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,4-dihydroindeno[1,2-c]pyrazole
CID 54583637
2-[4-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl pyridine
CID 9836405

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine?
The IUPAC name of 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine (CID 170983852) is 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine?
The canonical SMILES for 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine is FC(F)(F)c1cn[nH]c1-c1cccnc1-c1ccc2c(c1-c1ncccc1-c1[nH]ncc1C(F)(F)F)Cc1ccccc1-2.
What is the InChIKey of 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine?
The InChIKey is ABMFNWWYWMUMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F6N6/c32-30(33,34)23-14-40-42-27(23)20-7-3-11-38-26(20)19-10-9-18-17-6-2-1-5-16(17)13-22(18)25(19)29-21(8-4-12-39-29)28-24(15-41-43-28)31(35,36)37/h1-12,14-15H,13H2,(H,40,42)(H,41,43).
What are the key properties of 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine?
3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine has a molecular weight of 588.52 g/mol, XLogP of 8.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-[1-[3-[4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]-9H-fluoren-2-yl]pyridine is sourced from PubChem (CID 170983852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).