6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one

C21H14ClFN6O — CID 68995573

IUPAC6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCC(c1nnc2c(F)cc(-c3ccc(Cl)cn3)cn12)n1ccc2ncccc2c1=O
InChIInChI=1S/C21H14ClFN6O/c1-12(28-8-6-18-15(21(28)30)3-2-7-24-18)19-26-27-20-16(23)9-13(11-29(19)20)17-5-4-14(22)10-25-17/h2-12H,1H3
InChIKeyWCZVWSPHTHQVFP-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.90
Rot. Bonds3

About 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one

6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (PubChem CID 68995573) has the molecular formula C21H14ClFN6O and a molecular weight of 420.84 g/mol. Its IUPAC name is 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
PubChem CID68995573
Molecular FormulaC21H14ClFN6O
Molecular Weight420.84 g/mol
Exact Mass420.09
IUPAC Name6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCC(c1nnc2c(F)cc(-c3ccc(Cl)cn3)cn12)n1ccc2ncccc2c1=O
InChIInChI=1S/C21H14ClFN6O/c1-12(28-8-6-18-15(21(28)30)3-2-7-24-18)19-26-27-20-16(23)9-13(11-29(19)20)17-5-4-14(22)10-25-17/h2-12H,1H3
InChIKeyWCZVWSPHTHQVFP-UHFFFAOYSA-N
XLogP3.90
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (CID 68995573) is 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is CC(c1nnc2c(F)cc(-c3ccc(Cl)cn3)cn12)n1ccc2ncccc2c1=O.
What is the InChIKey of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The InChIKey is WCZVWSPHTHQVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN6O/c1-12(28-8-6-18-15(21(28)30)3-2-7-24-18)19-26-27-20-16(23)9-13(11-29(19)20)17-5-4-14(22)10-25-17/h2-12H,1H3.
What are the key properties of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one has a molecular weight of 420.84 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 68995573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).