5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine

C19H14BrF3N6 — CID 167421385

IUPAC5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine
SMILESFc1ccc(CC(c2ccc(Br)cn2)n2cc(-c3cn(C(F)F)nn3)cn2)cc1
InChIInChI=1S/C19H14BrF3N6/c20-14-3-6-16(24-9-14)18(7-12-1-4-15(21)5-2-12)28-10-13(8-25-28)17-11-29(19(22)23)27-26-17/h1-6,8-11,18-19H,7H2
InChIKeyQKWJGGKQDYCFQW-UHFFFAOYSA-N
MW463.26 g/mol
LogP4.67
Rot. Bonds6

About 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine

5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine (PubChem CID 167421385) has the molecular formula C19H14BrF3N6 and a molecular weight of 463.26 g/mol. Its IUPAC name is 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine
PubChem CID167421385
Molecular FormulaC19H14BrF3N6
Molecular Weight463.26 g/mol
Exact Mass462.04
IUPAC Name5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine
SMILESFc1ccc(CC(c2ccc(Br)cn2)n2cc(-c3cn(C(F)F)nn3)cn2)cc1
InChIInChI=1S/C19H14BrF3N6/c20-14-3-6-16(24-9-14)18(7-12-1-4-15(21)5-2-12)28-10-13(8-25-28)17-11-29(19(22)23)27-26-17/h1-6,8-11,18-19H,7H2
InChIKeyQKWJGGKQDYCFQW-UHFFFAOYSA-N
XLogP4.67
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]-1-oxidopyridin-1-ium
CID 167422327
4-chloro-2-[6-[1-[4-[3-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]-3-pyridinyl]-3-fluoroaniline
CID 167421855
5-[3-chloro-2-fluoro-6-(2H-tetrazole-1,4-diium-4-yl)phenyl]-2-[(1S)-2-[4-(difluoromethyl)pyrazol-1-yl]-1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]ethyl]pyridine chloride
CID 167421453
5-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-2-[2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]pyridine
CID 167422876
2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722736
5-bromo-2-[3-(difluoromethoxy)-1-(4-iodopyrazol-1-yl)propyl]pyridine
CID 167422879
[6-[2-[1-(difluoromethyl)pyrazol-3-yl]-1-[4-(5-fluoro-3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-3-pyridinyl]boronic acid
CID 167422000
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
CID 131260384
5-[1-[1-[5-[5-chloro-2-(2H-tetrazol-1-ium-1-yl)phenyl]-2-pyridinyl]-2-phenylethyl]pyrazol-4-yl]-6-fluoropyridin-2-amine
CID 167422897
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine?
The IUPAC name of 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine (CID 167421385) is 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine is Fc1ccc(CC(c2ccc(Br)cn2)n2cc(-c3cn(C(F)F)nn3)cn2)cc1.
What is the InChIKey of 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine?
The InChIKey is QKWJGGKQDYCFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N6/c20-14-3-6-16(24-9-14)18(7-12-1-4-15(21)5-2-12)28-10-13(8-25-28)17-11-29(19(22)23)27-26-17/h1-6,8-11,18-19H,7H2.
What are the key properties of 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine?
5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine has a molecular weight of 463.26 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[4-[1-(difluoromethyl)triazol-4-yl]pyrazol-1-yl]-2-(4-fluorophenyl)ethyl]pyridine is sourced from PubChem (CID 167421385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).