2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine

C25H22FN3O3 — CID 11704685

IUPAC2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccnn2-c2ccc(-c3ccc(F)nc3)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C25H22FN3O3/c1-30-23-8-4-18(14-24(23)32-21-11-13-31-16-21)22-10-12-28-29(22)20-6-2-17(3-7-20)19-5-9-25(26)27-15-19/h2-10,12,14-15,21H,11,13,16H2,1H3/t21-/m1/s1
InChIKeyUKBSZSYAYPGPPM-OAQYLSRUSA-N
MW431.47 g/mol
LogP4.92
Rot. Bonds6

About 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine

2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine (PubChem CID 11704685) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
PubChem CID11704685
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccnn2-c2ccc(-c3ccc(F)nc3)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C25H22FN3O3/c1-30-23-8-4-18(14-24(23)32-21-11-13-31-16-21)22-10-12-28-29(22)20-6-2-17(3-7-20)19-5-9-25(26)27-15-19/h2-10,12,14-15,21H,11,13,16H2,1H3/t21-/m1/s1
InChIKeyUKBSZSYAYPGPPM-OAQYLSRUSA-N
XLogP4.92
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The IUPAC name of 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine (CID 11704685) is 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The canonical SMILES for 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine is COc1ccc(-c2ccnn2-c2ccc(-c3ccc(F)nc3)cc2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The InChIKey is UKBSZSYAYPGPPM-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-30-23-8-4-18(14-24(23)32-21-11-13-31-16-21)22-10-12-28-29(22)20-6-2-17(3-7-20)19-5-9-25(26)27-15-19/h2-10,12,14-15,21H,11,13,16H2,1H3/t21-/m1/s1.
What are the key properties of 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine has a molecular weight of 431.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 11704685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).