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

C23H20FN7OS — CID 135220827

IUPAC4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
SMILESCn1cc(-c2cc(F)c3nnc(Sc4cccc5cc(N6CCOCC6)cnc45)n3c2)cn1
InChIInChI=1S/C23H20FN7OS/c1-29-13-17(11-26-29)16-10-19(24)22-27-28-23(31(22)14-16)33-20-4-2-3-15-9-18(12-25-21(15)20)30-5-7-32-8-6-30/h2-4,9-14H,5-8H2,1H3
InChIKeyXGGMURSPSHZTIZ-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.80
Rot. Bonds4

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

4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine (PubChem CID 135220827) has the molecular formula C23H20FN7OS and a molecular weight of 461.53 g/mol. Its IUPAC name is 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
PubChem CID135220827
Molecular FormulaC23H20FN7OS
Molecular Weight461.53 g/mol
Exact Mass461.14
IUPAC Name4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
SMILESCn1cc(-c2cc(F)c3nnc(Sc4cccc5cc(N6CCOCC6)cnc45)n3c2)cn1
InChIInChI=1S/C23H20FN7OS/c1-29-13-17(11-26-29)16-10-19(24)22-27-28-23(31(22)14-16)33-20-4-2-3-15-9-18(12-25-21(15)20)30-5-7-32-8-6-30/h2-4,9-14H,5-8H2,1H3
InChIKeyXGGMURSPSHZTIZ-UHFFFAOYSA-N
XLogP3.80
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(4-methylpiperazin-1-yl)quinoline
CID 135220825
3-(4,4-difluoropiperidin-1-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
CID 71536361
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane
CID 86696262
4-[6-[(1S)-1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine
CID 141473580
8-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721683
4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)morpholine
CID 2854459
[3-(8-oxa-2-azaspiro[4.5]decan-2-yl)quinolin-6-yl] 3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)pyridine-1-carboximidothioate
CID 135233128
5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71735711
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine
CID 175750570
6,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385868

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
The IUPAC name of 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine (CID 135220827) is 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine.
What is the SMILES notation for 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
The canonical SMILES for 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine is Cn1cc(-c2cc(F)c3nnc(Sc4cccc5cc(N6CCOCC6)cnc45)n3c2)cn1.
What is the InChIKey of 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
The InChIKey is XGGMURSPSHZTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7OS/c1-29-13-17(11-26-29)16-10-19(24)22-27-28-23(31(22)14-16)33-20-4-2-3-15-9-18(12-25-21(15)20)30-5-7-32-8-6-30/h2-4,9-14H,5-8H2,1H3.
What are the key properties of 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine has a molecular weight of 461.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine is sourced from PubChem (CID 135220827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).