5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine

C24H22F2N2O — CID 67152444

IUPAC5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC(F)F)cc3)c2cn1
InChIInChI=1S/C24H22F2N2O/c1-3-16-6-5-7-17(4-2)23(16)21-14-18-12-13-28(22(18)15-27-21)19-8-10-20(11-9-19)29-24(25)26/h5-15,24H,3-4H2,1-2H3
InChIKeyJSDGZPSBOBHCQG-UHFFFAOYSA-N
MW392.45 g/mol
LogP6.42
Rot. Bonds6

About 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine

5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine (PubChem CID 67152444) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
PubChem CID67152444
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC(F)F)cc3)c2cn1
InChIInChI=1S/C24H22F2N2O/c1-3-16-6-5-7-17(4-2)23(16)21-14-18-12-13-28(22(18)15-27-21)19-8-10-20(11-9-19)29-24(25)26/h5-15,24H,3-4H2,1-2H3
InChIKeyJSDGZPSBOBHCQG-UHFFFAOYSA-N
XLogP6.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]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-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine (CID 67152444) is 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine is CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC(F)F)cc3)c2cn1.
What is the InChIKey of 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
The InChIKey is JSDGZPSBOBHCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O/c1-3-16-6-5-7-17(4-2)23(16)21-14-18-12-13-28(22(18)15-27-21)19-8-10-20(11-9-19)29-24(25)26/h5-15,24H,3-4H2,1-2H3.
What are the key properties of 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine?
5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine has a molecular weight of 392.45 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diethylphenyl)-1-[4-(difluoromethoxy)phenyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67152444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).