6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

C35H21F3N8O — CID 155371092

IUPAC6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Oc1cccc(-c2ncc(-c3ccc(-c4ncccc4-c4ccc5ncnn5c4)cc3)cc2-c2ccc3ncnn3c2)c1
InChIInChI=1S/C35H21F3N8O/c36-35(37,38)47-28-4-1-3-24(15-28)34-30(26-11-13-32-42-21-44-46(32)19-26)16-27(17-40-34)22-6-8-23(9-7-22)33-29(5-2-14-39-33)25-10-12-31-41-20-43-45(31)18-25/h1-21H
InChIKeyUMIIUCKNBXSVLJ-UHFFFAOYSA-N
MW626.60 g/mol
LogP7.80
Rot. Bonds6

About 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine

6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155371092) has the molecular formula C35H21F3N8O and a molecular weight of 626.60 g/mol. Its IUPAC name is 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155371092
Molecular FormulaC35H21F3N8O
Molecular Weight626.60 g/mol
Exact Mass626.18
IUPAC Name6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Oc1cccc(-c2ncc(-c3ccc(-c4ncccc4-c4ccc5ncnn5c4)cc3)cc2-c2ccc3ncnn3c2)c1
InChIInChI=1S/C35H21F3N8O/c36-35(37,38)47-28-4-1-3-24(15-28)34-30(26-11-13-32-42-21-44-46(32)19-26)16-27(17-40-34)22-6-8-23(9-7-22)33-29(5-2-14-39-33)25-10-12-31-41-20-43-45(31)18-25/h1-21H
InChIKeyUMIIUCKNBXSVLJ-UHFFFAOYSA-N
XLogP7.80
TPSA95.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.60
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 155371092) is 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)Oc1cccc(-c2ncc(-c3ccc(-c4ncccc4-c4ccc5ncnn5c4)cc3)cc2-c2ccc3ncnn3c2)c1.
What is the InChIKey of 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UMIIUCKNBXSVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F3N8O/c36-35(37,38)47-28-4-1-3-24(15-28)34-30(26-11-13-32-42-21-44-46(32)19-26)16-27(17-40-34)22-6-8-23(9-7-22)33-29(5-2-14-39-33)25-10-12-31-41-20-43-45(31)18-25/h1-21H.
What are the key properties of 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 626.60 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-[3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155371092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).