Skip to content

4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine

C21H23F2N5O — CID 177025446

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine
SMILESCOc1cc(CCN2CCC(c3cn(-c4ccc(F)c(F)c4)nn3)CC2)ccn1
InChIInChI=1S/C21H23F2N5O/c1-29-21-12-15(4-8-24-21)5-9-27-10-6-16(7-11-27)20-14-28(26-25-20)17-2-3-18(22)19(23)13-17/h2-4,8,12-14,16H,5-7,9-11H2,1H3
InChIKeyPDJQTGDESBOURQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.37
Rot. Bonds6

About 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine

4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine (PubChem CID 177025446) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine
PubChem CID177025446
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine
SMILESCOc1cc(CCN2CCC(c3cn(-c4ccc(F)c(F)c4)nn3)CC2)ccn1
InChIInChI=1S/C21H23F2N5O/c1-29-21-12-15(4-8-24-21)5-9-27-10-6-16(7-11-27)20-14-28(26-25-20)17-2-3-18(22)19(23)13-17/h2-4,8,12-14,16H,5-7,9-11H2,1H3
InChIKeyPDJQTGDESBOURQ-UHFFFAOYSA-N
XLogP3.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine 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 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine?
The IUPAC name of 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine (CID 177025446) is 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine.
What is the SMILES notation for 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine?
The canonical SMILES for 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine is COc1cc(CCN2CCC(c3cn(-c4ccc(F)c(F)c4)nn3)CC2)ccn1.
What is the InChIKey of 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine?
The InChIKey is PDJQTGDESBOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O/c1-29-21-12-15(4-8-24-21)5-9-27-10-6-16(7-11-27)20-14-28(26-25-20)17-2-3-18(22)19(23)13-17/h2-4,8,12-14,16H,5-7,9-11H2,1H3.
What are the key properties of 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine?
4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine has a molecular weight of 399.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(3,4-difluorophenyl)triazol-4-yl]piperidin-1-yl]ethyl]-2-methoxypyridine is sourced from PubChem (CID 177025446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.