3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine

C24H21F2N3O — CID 176625544

IUPAC3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ccnc(-n4cc(F)cn4)c3F)cc2)cc1
InChIInChI=1S/C24H21F2N3O/c1-16-4-6-17(7-5-16)24(2,3)18-8-10-20(11-9-18)30-21-12-13-27-23(22(21)26)29-15-19(25)14-28-29/h4-15H,1-3H3
InChIKeyGTOXJRUNOPTBGX-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.97
Rot. Bonds5

About 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine

3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine (PubChem CID 176625544) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine.

Molecular Properties

Compound Name3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
PubChem CID176625544
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ccnc(-n4cc(F)cn4)c3F)cc2)cc1
InChIInChI=1S/C24H21F2N3O/c1-16-4-6-17(7-5-16)24(2,3)18-8-10-20(11-9-18)30-21-12-13-27-23(22(21)26)29-15-19(25)14-28-29/h4-15H,1-3H3
InChIKeyGTOXJRUNOPTBGX-UHFFFAOYSA-N
XLogP5.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine?
The IUPAC name of 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine (CID 176625544) is 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine.
What is the SMILES notation for 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine?
The canonical SMILES for 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine is Cc1ccc(C(C)(C)c2ccc(Oc3ccnc(-n4cc(F)cn4)c3F)cc2)cc1.
What is the InChIKey of 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine?
The InChIKey is GTOXJRUNOPTBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O/c1-16-4-6-17(7-5-16)24(2,3)18-8-10-20(11-9-18)30-21-12-13-27-23(22(21)26)29-15-19(25)14-28-29/h4-15H,1-3H3.
What are the key properties of 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine?
3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine has a molecular weight of 405.45 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine is sourced from PubChem (CID 176625544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).