4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid

C24H23FN6O2 — CID 142779170

IUPAC4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCc1nc(-c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2-c2ccc3ncnn3c2)ccc1F
InChIInChI=1S/C24H23FN6O2/c1-14-16(25)3-4-17(28-14)20-19(15-2-5-18-26-13-27-31(18)12-15)29-21(30-20)23-6-9-24(10-7-23,11-8-23)22(32)33/h2-5,12-13H,6-11H2,1H3,(H,29,30)(H,32,33)
InChIKeyKTMNYFOAXHOSER-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.31
Rot. Bonds4

About 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid

4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid (PubChem CID 142779170) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid
PubChem CID142779170
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCc1nc(-c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2-c2ccc3ncnn3c2)ccc1F
InChIInChI=1S/C24H23FN6O2/c1-14-16(25)3-4-17(28-14)20-19(15-2-5-18-26-13-27-31(18)12-15)29-21(30-20)23-6-9-24(10-7-23,11-8-23)22(32)33/h2-5,12-13H,6-11H2,1H3,(H,29,30)(H,32,33)
InChIKeyKTMNYFOAXHOSER-UHFFFAOYSA-N
XLogP4.31
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name of 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid (CID 142779170) is 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid.
What is the SMILES notation for 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid?
The canonical SMILES for 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid is Cc1nc(-c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc2-c2ccc3ncnn3c2)ccc1F.
What is the InChIKey of 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is KTMNYFOAXHOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14-16(25)3-4-17(28-14)20-19(15-2-5-18-26-13-27-31(18)12-15)29-21(30-20)23-6-9-24(10-7-23,11-8-23)22(32)33/h2-5,12-13H,6-11H2,1H3,(H,29,30)(H,32,33).
What are the key properties of 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid?
4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid has a molecular weight of 446.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid is sourced from PubChem (CID 142779170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).