4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine

C23H24F3N9O2 — CID 175923388

IUPAC4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine
SMILESFC(F)(F)c1nc(-c2cc3nc(CN4CCC(Oc5ccccn5)CC4)n(C4COCN4)c3cn2)n[nH]1
InChIInChI=1S/C23H24F3N9O2/c24-23(25,26)22-31-21(32-33-22)16-9-15-17(10-28-16)35(19-12-36-13-29-19)18(30-15)11-34-7-4-14(5-8-34)37-20-3-1-2-6-27-20/h1-3,6,9-10,14,19,29H,4-5,7-8,11-13H2,(H,31,32,33)
InChIKeyNSWKZTMSLQMSQC-UHFFFAOYSA-N
MW515.50 g/mol
LogP2.75
Rot. Bonds6

About 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine

4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine (PubChem CID 175923388) has the molecular formula C23H24F3N9O2 and a molecular weight of 515.50 g/mol. Its IUPAC name is 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine
PubChem CID175923388
Molecular FormulaC23H24F3N9O2
Molecular Weight515.50 g/mol
Exact Mass515.20
IUPAC Name4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine
SMILESFC(F)(F)c1nc(-c2cc3nc(CN4CCC(Oc5ccccn5)CC4)n(C4COCN4)c3cn2)n[nH]1
InChIInChI=1S/C23H24F3N9O2/c24-23(25,26)22-31-21(32-33-22)16-9-15-17(10-28-16)35(19-12-36-13-29-19)18(30-15)11-34-7-4-14(5-8-34)37-20-3-1-2-6-27-20/h1-3,6,9-10,14,19,29H,4-5,7-8,11-13H2,(H,31,32,33)
InChIKeyNSWKZTMSLQMSQC-UHFFFAOYSA-N
XLogP2.75
TPSA118.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine?
The IUPAC name of 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine (CID 175923388) is 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine.
What is the SMILES notation for 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine?
The canonical SMILES for 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine is FC(F)(F)c1nc(-c2cc3nc(CN4CCC(Oc5ccccn5)CC4)n(C4COCN4)c3cn2)n[nH]1.
What is the InChIKey of 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine?
The InChIKey is NSWKZTMSLQMSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N9O2/c24-23(25,26)22-31-21(32-33-22)16-9-15-17(10-28-16)35(19-12-36-13-29-19)18(30-15)11-34-7-4-14(5-8-34)37-20-3-1-2-6-27-20/h1-3,6,9-10,14,19,29H,4-5,7-8,11-13H2,(H,31,32,33).
What are the key properties of 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine?
4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine has a molecular weight of 515.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-3-yl]-1,3-oxazolidine is sourced from PubChem (CID 175923388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).