2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine

C22H17ClFN3O — CID 58020359

IUPAC2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine
SMILESCOc1ccc(Cn2ccc(-c3ccccn3)n2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O/c1-28-20-9-8-16(22(24)21(20)15-5-4-6-17(23)13-15)14-27-12-10-19(26-27)18-7-2-3-11-25-18/h2-13H,14H2,1H3
InChIKeyFGTHOYZDMILFDW-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.46
Rot. Bonds5

About 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine

2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine (PubChem CID 58020359) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine
PubChem CID58020359
Molecular FormulaC22H17ClFN3O
Molecular Weight393.85 g/mol
Exact Mass393.10
IUPAC Name2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine
SMILESCOc1ccc(Cn2ccc(-c3ccccn3)n2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O/c1-28-20-9-8-16(22(24)21(20)15-5-4-6-17(23)13-15)14-27-12-10-19(26-27)18-7-2-3-11-25-18/h2-13H,14H2,1H3
InChIKeyFGTHOYZDMILFDW-UHFFFAOYSA-N
XLogP5.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
CID 58020028
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridin-2-amine;ethane
CID 143810459
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1H-pyridin-2-one
CID 70224222
2-(1-benzylpyrazol-3-yl)pyridine
CID 71374413
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 58019926
2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
CID 70228503
1-[(2R)-1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]azetidin-2-yl]ethanone
CID 58020277
2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]-methylamino]ethanol;2-(methylamino)ethanol
CID 160582539
1-[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]imidazolidin-2-one
CID 42610807
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588458

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine (CID 58020359) is 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine is COc1ccc(Cn2ccc(-c3ccccn3)n2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine?
The InChIKey is FGTHOYZDMILFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c1-28-20-9-8-16(22(24)21(20)15-5-4-6-17(23)13-15)14-27-12-10-19(26-27)18-7-2-3-11-25-18/h2-13H,14H2,1H3.
What are the key properties of 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine?
2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine has a molecular weight of 393.85 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 58020359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).