4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine

C25H24F2N8O — CID 59320221

IUPAC4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1ccc2nnc(Cc3c(F)cc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3F)n2n1
InChIInChI=1S/C25H24F2N8O/c1-16-2-3-23-30-31-24(35(23)32-16)11-19-21(26)12-22-20(25(19)27)10-17(13-28-22)18-14-29-34(15-18)5-4-33-6-8-36-9-7-33/h2-3,10,12-15H,4-9,11H2,1H3
InChIKeyBVLQDUWHTPDZIZ-UHFFFAOYSA-N
MW490.52 g/mol
LogP3.05
Rot. Bonds6

About 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 59320221) has the molecular formula C25H24F2N8O and a molecular weight of 490.52 g/mol. Its IUPAC name is 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID59320221
Molecular FormulaC25H24F2N8O
Molecular Weight490.52 g/mol
Exact Mass490.20
IUPAC Name4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1ccc2nnc(Cc3c(F)cc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3F)n2n1
InChIInChI=1S/C25H24F2N8O/c1-16-2-3-23-30-31-24(35(23)32-16)11-19-21(26)12-22-20(25(19)27)10-17(13-28-22)18-14-29-34(15-18)5-4-33-6-8-36-9-7-33/h2-3,10,12-15H,4-9,11H2,1H3
InChIKeyBVLQDUWHTPDZIZ-UHFFFAOYSA-N
XLogP3.05
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine with MolForge

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Related Compounds

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CID 46911863
Apy0201
CID 56927660
PF-04254644
CID 24871823
Bay-41-8543
CID 9953906
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
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4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
Vabametkib
CID 73504719
Pyrazolo pyrimidine, 5k
CID 25196900
4-(6-(1H-Indol-5-yl)-1-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
CID 25229526

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 59320221) is 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine is Cc1ccc2nnc(Cc3c(F)cc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3F)n2n1.
What is the InChIKey of 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is BVLQDUWHTPDZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O/c1-16-2-3-23-30-31-24(35(23)32-16)11-19-21(26)12-22-20(25(19)27)10-17(13-28-22)18-14-29-34(15-18)5-4-33-6-8-36-9-7-33/h2-3,10,12-15H,4-9,11H2,1H3.
What are the key properties of 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 490.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5,7-difluoro-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 59320221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).