2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine

C21H17F2N5 — CID 135246921

IUPAC2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine
SMILESCC(F)(F)c1ccc(Cc2ncccc2-c2cccnc2-n2ccnc2)cn1
InChIInChI=1S/C21H17F2N5/c1-21(22,23)19-7-6-15(13-27-19)12-18-16(4-2-8-25-18)17-5-3-9-26-20(17)28-11-10-24-14-28/h2-11,13-14H,12H2,1H3
InChIKeyLGKRSJRBYGRJQY-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.43
Rot. Bonds5

About 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine

2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine (PubChem CID 135246921) has the molecular formula C21H17F2N5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine
PubChem CID135246921
Molecular FormulaC21H17F2N5
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine
SMILESCC(F)(F)c1ccc(Cc2ncccc2-c2cccnc2-n2ccnc2)cn1
InChIInChI=1S/C21H17F2N5/c1-21(22,23)19-7-6-15(13-27-19)12-18-16(4-2-8-25-18)17-5-3-9-26-20(17)28-11-10-24-14-28/h2-11,13-14H,12H2,1H3
InChIKeyLGKRSJRBYGRJQY-UHFFFAOYSA-N
XLogP4.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]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-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine (CID 135246921) is 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine is CC(F)(F)c1ccc(Cc2ncccc2-c2cccnc2-n2ccnc2)cn1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine?
The InChIKey is LGKRSJRBYGRJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5/c1-21(22,23)19-7-6-15(13-27-19)12-18-16(4-2-8-25-18)17-5-3-9-26-20(17)28-11-10-24-14-28/h2-11,13-14H,12H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine?
2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine has a molecular weight of 377.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-[[3-(2-imidazol-1-yl-3-pyridinyl)-2-pyridinyl]methyl]pyridine is sourced from PubChem (CID 135246921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).