8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one

C24H23FN6O2 — CID 25166804

IUPAC8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one
SMILESCc1nc(-c2nn(C3CCC4(CCOC4=O)CC3)cc2-c2ccc3ncnn3c2)ccc1F
InChIInChI=1S/C24H23FN6O2/c1-15-19(25)3-4-20(28-15)22-18(16-2-5-21-26-14-27-31(21)12-16)13-30(29-22)17-6-8-24(9-7-17)10-11-33-23(24)32/h2-5,12-14,17H,6-11H2,1H3
InChIKeyJPQUEWSNHVDIPU-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.15
Rot. Bonds3

About 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one

8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one (PubChem CID 25166804) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one
PubChem CID25166804
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one
SMILESCc1nc(-c2nn(C3CCC4(CCOC4=O)CC3)cc2-c2ccc3ncnn3c2)ccc1F
InChIInChI=1S/C24H23FN6O2/c1-15-19(25)3-4-20(28-15)22-18(16-2-5-21-26-14-27-31(21)12-16)13-30(29-22)17-6-8-24(9-7-17)10-11-33-23(24)32/h2-5,12-14,17H,6-11H2,1H3
InChIKeyJPQUEWSNHVDIPU-UHFFFAOYSA-N
XLogP4.15
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one (CID 25166804) is 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one is Cc1nc(-c2nn(C3CCC4(CCOC4=O)CC3)cc2-c2ccc3ncnn3c2)ccc1F.
What is the InChIKey of 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one?
The InChIKey is JPQUEWSNHVDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-15-19(25)3-4-20(28-15)22-18(16-2-5-21-26-14-27-31(21)12-16)13-30(29-22)17-6-8-24(9-7-17)10-11-33-23(24)32/h2-5,12-14,17H,6-11H2,1H3.
What are the key properties of 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one?
8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one has a molecular weight of 446.49 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 25166804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).