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

C21H18FN7O2 — CID 58015493

IUPAC6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESC[C@@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O
InChIInChI=1S/C21H18FN7O2/c1-13(28-6-4-18-16(21(28)31)3-2-5-23-18)19-25-26-20-17(22)9-14(12-29(19)20)15-10-24-27(11-15)7-8-30/h2-6,9-13,30H,7-8H2,1H3/t13-/m0/s1
InChIKeyQTPVPUOUELXOEK-ZDUSSCGKSA-N
MW419.42 g/mol
LogP2.04
Rot. Bonds5

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

6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (PubChem CID 58015493) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
PubChem CID58015493
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESC[C@@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O
InChIInChI=1S/C21H18FN7O2/c1-13(28-6-4-18-16(21(28)31)3-2-5-23-18)19-25-26-20-17(22)9-14(12-29(19)20)15-10-24-27(11-15)7-8-30/h2-6,9-13,30H,7-8H2,1H3/t13-/m0/s1
InChIKeyQTPVPUOUELXOEK-ZDUSSCGKSA-N
XLogP2.04
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[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-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (CID 58015493) is 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is C[C@@H](c1nnc2c(F)cc(-c3cnn(CCO)c3)cn12)n1ccc2ncccc2c1=O.
What is the InChIKey of 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The InChIKey is QTPVPUOUELXOEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-13(28-6-4-18-16(21(28)31)3-2-5-23-18)19-25-26-20-17(22)9-14(12-29(19)20)15-10-24-27(11-15)7-8-30/h2-6,9-13,30H,7-8H2,1H3/t13-/m0/s1.
What are the key properties of 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one has a molecular weight of 419.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 58015493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).