2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine

C25H23F2N5O — CID 11640896

IUPAC2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine
SMILESCC1(C(c2ccc(OCc3ccccn3)cc2)c2ccc(-c3nnnn3C(F)F)cc2)CC1
InChIInChI=1S/C25H23F2N5O/c1-25(13-14-25)22(17-5-7-19(8-6-17)23-29-30-31-32(23)24(26)27)18-9-11-21(12-10-18)33-16-20-4-2-3-15-28-20/h2-12,15,22,24H,13-14,16H2,1H3
InChIKeyJWEYPQRAAFKXPZ-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.64
Rot. Bonds8

About 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine

2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine (PubChem CID 11640896) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine
PubChem CID11640896
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC Name2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine
SMILESCC1(C(c2ccc(OCc3ccccn3)cc2)c2ccc(-c3nnnn3C(F)F)cc2)CC1
InChIInChI=1S/C25H23F2N5O/c1-25(13-14-25)22(17-5-7-19(8-6-17)23-29-30-31-32(23)24(26)27)18-9-11-21(12-10-18)33-16-20-4-2-3-15-28-20/h2-12,15,22,24H,13-14,16H2,1H3
InChIKeyJWEYPQRAAFKXPZ-UHFFFAOYSA-N
XLogP5.64
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]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 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine (CID 11640896) is 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine is CC1(C(c2ccc(OCc3ccccn3)cc2)c2ccc(-c3nnnn3C(F)F)cc2)CC1.
What is the InChIKey of 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine?
The InChIKey is JWEYPQRAAFKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O/c1-25(13-14-25)22(17-5-7-19(8-6-17)23-29-30-31-32(23)24(26)27)18-9-11-21(12-10-18)33-16-20-4-2-3-15-28-20/h2-12,15,22,24H,13-14,16H2,1H3.
What are the key properties of 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine?
2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine has a molecular weight of 447.49 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[1-(difluoromethyl)tetrazol-5-yl]phenyl]-(1-methylcyclopropyl)methyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 11640896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).