4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine

C24H22FN7OS — CID 71535544

IUPAC4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine
SMILESCC1CN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)CCO1
InChIInChI=1S/C24H22FN7OS/c1-15-12-31(5-6-33-15)19-7-16-8-20(3-4-22(16)26-11-19)34-24-29-28-23-21(25)9-17(14-32(23)24)18-10-27-30(2)13-18/h3-4,7-11,13-15H,5-6,12H2,1-2H3
InChIKeyNLRBOMANTTVJTI-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.19
Rot. Bonds4

About 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine

4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine (PubChem CID 71535544) has the molecular formula C24H22FN7OS and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine
PubChem CID71535544
Molecular FormulaC24H22FN7OS
Molecular Weight475.55 g/mol
Exact Mass475.16
IUPAC Name4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine
SMILESCC1CN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)CCO1
InChIInChI=1S/C24H22FN7OS/c1-15-12-31(5-6-33-15)19-7-16-8-20(3-4-22(16)26-11-19)34-24-29-28-23-21(25)9-17(14-32(23)24)18-10-27-30(2)13-18/h3-4,7-11,13-15H,5-6,12H2,1-2H3
InChIKeyNLRBOMANTTVJTI-UHFFFAOYSA-N
XLogP4.19
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine?
The IUPAC name of 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine (CID 71535544) is 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine?
The canonical SMILES for 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine is CC1CN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)CCO1.
What is the InChIKey of 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine?
The InChIKey is NLRBOMANTTVJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7OS/c1-15-12-31(5-6-33-15)19-7-16-8-20(3-4-22(16)26-11-19)34-24-29-28-23-21(25)9-17(14-32(23)24)18-10-27-30(2)13-18/h3-4,7-11,13-15H,5-6,12H2,1-2H3.
What are the key properties of 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine?
4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine has a molecular weight of 475.55 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-methylmorpholine is sourced from PubChem (CID 71535544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).