6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline

C23H23FN4 — CID 166746621

IUPAC6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline
SMILESCC(c1nnc2ccccn12)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23FN4/c1-15(23-27-26-22-4-2-3-13-28(22)23)16-5-7-17(8-6-16)19-11-12-25-21-10-9-18(24)14-20(19)21/h2-4,9-17H,5-8H2,1H3
InChIKeyRSPOTVNNXFBXEH-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.49
Rot. Bonds3

About 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline

6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline (PubChem CID 166746621) has the molecular formula C23H23FN4 and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline.

Molecular Properties

Compound Name6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline
PubChem CID166746621
Molecular FormulaC23H23FN4
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Name6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline
SMILESCC(c1nnc2ccccn12)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H23FN4/c1-15(23-27-26-22-4-2-3-13-28(22)23)16-5-7-17(8-6-16)19-11-12-25-21-10-9-18(24)14-20(19)21/h2-4,9-17H,5-8H2,1H3
InChIKeyRSPOTVNNXFBXEH-UHFFFAOYSA-N
XLogP5.49
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline?
The IUPAC name of 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline (CID 166746621) is 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline.
What is the SMILES notation for 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline?
The canonical SMILES for 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline is CC(c1nnc2ccccn12)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline?
The InChIKey is RSPOTVNNXFBXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4/c1-15(23-27-26-22-4-2-3-13-28(22)23)16-5-7-17(8-6-16)19-11-12-25-21-10-9-18(24)14-20(19)21/h2-4,9-17H,5-8H2,1H3.
What are the key properties of 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline?
6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline has a molecular weight of 374.46 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline is sourced from PubChem (CID 166746621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).