4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine

C21H20FN5 — CID 90465146

IUPAC4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine
SMILESCc1cn(-c2cc(-c3cn(C(C)C)nc3-c3ccc(F)cc3)ccn2)cn1
InChIInChI=1S/C21H20FN5/c1-14(2)27-12-19(21(25-27)16-4-6-18(22)7-5-16)17-8-9-23-20(10-17)26-11-15(3)24-13-26/h4-14H,1-3H3
InChIKeyFRZKCXQEUPSUCN-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.83
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine

4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine (PubChem CID 90465146) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine
PubChem CID90465146
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine
SMILESCc1cn(-c2cc(-c3cn(C(C)C)nc3-c3ccc(F)cc3)ccn2)cn1
InChIInChI=1S/C21H20FN5/c1-14(2)27-12-19(21(25-27)16-4-6-18(22)7-5-16)17-8-9-23-20(10-17)26-11-15(3)24-13-26/h4-14H,1-3H3
InChIKeyFRZKCXQEUPSUCN-UHFFFAOYSA-N
XLogP4.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine (CID 90465146) is 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine is Cc1cn(-c2cc(-c3cn(C(C)C)nc3-c3ccc(F)cc3)ccn2)cn1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine?
The InChIKey is FRZKCXQEUPSUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c1-14(2)27-12-19(21(25-27)16-4-6-18(22)7-5-16)17-8-9-23-20(10-17)26-11-15(3)24-13-26/h4-14H,1-3H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine?
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine has a molecular weight of 361.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 90465146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).