3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine

C15H10F3IN2O2 — CID 134543292

IUPAC3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(I)c2c1
InChIInChI=1S/C15H10F3IN2O2/c1-22-14-7-10(23-15(16,17)18)2-3-11(14)9-4-5-21-13(6-9)12(19)8-20-21/h2-8H,1H3
InChIKeyCNXRSUPDONCIMK-UHFFFAOYSA-N
MW434.16 g/mol
LogP4.51
Rot. Bonds3

About 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine

3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine (PubChem CID 134543292) has the molecular formula C15H10F3IN2O2 and a molecular weight of 434.16 g/mol. Its IUPAC name is 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
PubChem CID134543292
Molecular FormulaC15H10F3IN2O2
Molecular Weight434.16 g/mol
Exact Mass433.97
IUPAC Name3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(I)c2c1
InChIInChI=1S/C15H10F3IN2O2/c1-22-14-7-10(23-15(16,17)18)2-3-11(14)9-4-5-21-13(6-9)12(19)8-20-21/h2-8H,1H3
InChIKeyCNXRSUPDONCIMK-UHFFFAOYSA-N
XLogP4.51
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.16
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-pyrazolo[1,5-a]pyridin-2-ylmethylpentan-2-ol
CID 46938915
1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanol
CID 58014021
5-[4-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 127044563
5-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 127044564
1-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 16189850
7-Methoxy-4-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 72193179
1-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16189882
7-fluoro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine
CID 130248885
US20230339900, Example 151
CID 162760874
1-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 16190313

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine (CID 134543292) is 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine is COc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(I)c2c1.
What is the InChIKey of 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is CNXRSUPDONCIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3IN2O2/c1-22-14-7-10(23-15(16,17)18)2-3-11(14)9-4-5-21-13(6-9)12(19)8-20-21/h2-8H,1H3.
What are the key properties of 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 434.16 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134543292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).