4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine

C13H9F3N4O — CID 66829080

IUPAC4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1nccc2[nH]nc(-c3ccnc(C(F)(F)F)c3)c12
InChIInChI=1S/C13H9F3N4O/c1-21-12-10-8(3-5-18-12)19-20-11(10)7-2-4-17-9(6-7)13(14,15)16/h2-6H,1H3,(H,19,20)
InChIKeyTUPPOTHYPUUJMI-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.05
Rot. Bonds2

About 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine

4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66829080) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID66829080
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1nccc2[nH]nc(-c3ccnc(C(F)(F)F)c3)c12
InChIInChI=1S/C13H9F3N4O/c1-21-12-10-8(3-5-18-12)19-20-11(10)7-2-4-17-9(6-7)13(14,15)16/h2-6H,1H3,(H,19,20)
InChIKeyTUPPOTHYPUUJMI-UHFFFAOYSA-N
XLogP3.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
CID 56943105
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
CID 21027446
7-Methoxy-4-[(2-pyridin-4-yl)ethyl]-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24752867
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
(e)-4-[2-(3,5-Dichloropyridin-4-yl)vinyl]-7-methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24798273
4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 46898099

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine (CID 66829080) is 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine is COc1nccc2[nH]nc(-c3ccnc(C(F)(F)F)c3)c12.
What is the InChIKey of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is TUPPOTHYPUUJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c1-21-12-10-8(3-5-18-12)19-20-11(10)7-2-4-17-9(6-7)13(14,15)16/h2-6H,1H3,(H,19,20).
What are the key properties of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine?
4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 294.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66829080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).