5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine

C25H26F2N2O — CID 68745760

IUPAC5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine
SMILESCc1cc(CN2CCC(c3ccccc3)C2)ccc1Oc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C25H26F2N2O/c1-18-14-19(16-29-13-12-21(17-29)20-6-4-3-5-7-20)8-10-23(18)30-24-11-9-22(15-28-24)25(2,26)27/h3-11,14-15,21H,12-13,16-17H2,1-2H3
InChIKeyCHMFKVUEDZBALK-UHFFFAOYSA-N
MW408.49 g/mol
LogP6.28
Rot. Bonds6

About 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine

5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine (PubChem CID 68745760) has the molecular formula C25H26F2N2O and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine
PubChem CID68745760
Molecular FormulaC25H26F2N2O
Molecular Weight408.49 g/mol
Exact Mass408.20
IUPAC Name5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine
SMILESCc1cc(CN2CCC(c3ccccc3)C2)ccc1Oc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C25H26F2N2O/c1-18-14-19(16-29-13-12-21(17-29)20-6-4-3-5-7-20)8-10-23(18)30-24-11-9-22(15-28-24)25(2,26)27/h3-11,14-15,21H,12-13,16-17H2,1-2H3
InChIKeyCHMFKVUEDZBALK-UHFFFAOYSA-N
XLogP6.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]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 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine (CID 68745760) is 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine is Cc1cc(CN2CCC(c3ccccc3)C2)ccc1Oc1ccc(C(C)(F)F)cn1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine?
The InChIKey is CHMFKVUEDZBALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O/c1-18-14-19(16-29-13-12-21(17-29)20-6-4-3-5-7-20)8-10-23(18)30-24-11-9-22(15-28-24)25(2,26)27/h3-11,14-15,21H,12-13,16-17H2,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine?
5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine has a molecular weight of 408.49 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-[2-methyl-4-[(3-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine is sourced from PubChem (CID 68745760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).