8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C27H24FN5O — CID 46174506

IUPAC8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCNCC1
InChIInChI=1S/C27H24FN5O/c28-27(13-15-29-16-14-27)18-34-23-8-4-7-20-9-11-22(30-25(20)23)26-32-31-24-12-10-21(17-33(24)26)19-5-2-1-3-6-19/h1-12,17,29H,13-16,18H2
InChIKeyABHCOFKCKYHXPW-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.08
Rot. Bonds5

About 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 46174506) has the molecular formula C27H24FN5O and a molecular weight of 453.52 g/mol. Its IUPAC name is 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID46174506
Molecular FormulaC27H24FN5O
Molecular Weight453.52 g/mol
Exact Mass453.20
IUPAC Name8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESFC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCNCC1
InChIInChI=1S/C27H24FN5O/c28-27(13-15-29-16-14-27)18-34-23-8-4-7-20-9-11-22(30-25(20)23)26-32-31-24-12-10-21(17-33(24)26)19-5-2-1-3-6-19/h1-12,17,29H,13-16,18H2
InChIKeyABHCOFKCKYHXPW-UHFFFAOYSA-N
XLogP5.08
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 46174506) is 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is FC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCNCC1.
What is the InChIKey of 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is ABHCOFKCKYHXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O/c28-27(13-15-29-16-14-27)18-34-23-8-4-7-20-9-11-22(30-25(20)23)26-32-31-24-12-10-21(17-33(24)26)19-5-2-1-3-6-19/h1-12,17,29H,13-16,18H2.
What are the key properties of 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 453.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoropiperidin-4-yl)methoxy]-2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 46174506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).