4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine

C25H24FN7O — CID 141473581

IUPAC4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine
SMILESCC(c1cc2cc(N3CCOCC3)cnc2cc1F)c1cnn2ccc(-c3cnn(C)c3)nc12
InChIInChI=1S/C25H24FN7O/c1-16(21-14-29-33-4-3-23(30-25(21)33)18-12-28-31(2)15-18)20-10-17-9-19(32-5-7-34-8-6-32)13-27-24(17)11-22(20)26/h3-4,9-16H,5-8H2,1-2H3
InChIKeyQZXHLYZBNPDTHR-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.81
Rot. Bonds4

About 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine

4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine (PubChem CID 141473581) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine.

Molecular Properties

Compound Name4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine
PubChem CID141473581
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine
SMILESCC(c1cc2cc(N3CCOCC3)cnc2cc1F)c1cnn2ccc(-c3cnn(C)c3)nc12
InChIInChI=1S/C25H24FN7O/c1-16(21-14-29-33-4-3-23(30-25(21)33)18-12-28-31(2)15-18)20-10-17-9-19(32-5-7-34-8-6-32)13-27-24(17)11-22(20)26/h3-4,9-16H,5-8H2,1-2H3
InChIKeyQZXHLYZBNPDTHR-UHFFFAOYSA-N
XLogP3.81
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
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
CID 25195294
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
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
Pyrazolo pyrimidine, 5k
CID 25196900

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
The IUPAC name of 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine (CID 141473581) is 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine.
What is the SMILES notation for 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
The canonical SMILES for 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine is CC(c1cc2cc(N3CCOCC3)cnc2cc1F)c1cnn2ccc(-c3cnn(C)c3)nc12.
What is the InChIKey of 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
The InChIKey is QZXHLYZBNPDTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-16(21-14-29-33-4-3-23(30-25(21)33)18-12-28-31(2)15-18)20-10-17-9-19(32-5-7-34-8-6-32)13-27-24(17)11-22(20)26/h3-4,9-16H,5-8H2,1-2H3.
What are the key properties of 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine?
4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine has a molecular weight of 457.51 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethyl]quinolin-3-yl]morpholine is sourced from PubChem (CID 141473581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).