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

C25H22FN3O3 — CID 11546491

IUPAC3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccnn2-c2ccc(-c3ccncc3F)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C25H22FN3O3/c1-30-24-7-4-18(14-25(24)32-20-10-13-31-16-20)23-9-12-28-29(23)19-5-2-17(3-6-19)21-8-11-27-15-22(21)26/h2-9,11-12,14-15,20H,10,13,16H2,1H3/t20-/m1/s1
InChIKeyRFJBCMHIWGPWDT-HXUWFJFHSA-N
MW431.47 g/mol
LogP4.92
Rot. Bonds6

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

3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine (PubChem CID 11546491) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
PubChem CID11546491
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccnn2-c2ccc(-c3ccncc3F)cc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C25H22FN3O3/c1-30-24-7-4-18(14-25(24)32-20-10-13-31-16-20)23-9-12-28-29(23)19-5-2-17(3-6-19)21-8-11-27-15-22(21)26/h2-9,11-12,14-15,20H,10,13,16H2,1H3/t20-/m1/s1
InChIKeyRFJBCMHIWGPWDT-HXUWFJFHSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The IUPAC name of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine (CID 11546491) is 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine.
What is the SMILES notation for 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The canonical SMILES for 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine is COc1ccc(-c2ccnn2-c2ccc(-c3ccncc3F)cc2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
The InChIKey is RFJBCMHIWGPWDT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-30-24-7-4-18(14-25(24)32-20-10-13-31-16-20)23-9-12-28-29(23)19-5-2-17(3-6-19)21-8-11-27-15-22(21)26/h2-9,11-12,14-15,20H,10,13,16H2,1H3/t20-/m1/s1.
What are the key properties of 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine?
3-fluoro-4-[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 3-fluoro-4-[4-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 11546491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).