(2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate

C24H28FN5O4 — CID 157280886

IUPAC(2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(CC(=O)OCC(F)CN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C24H28FN5O4/c1-28-16-21(14-26-28)30-6-5-23(31)22(27-30)12-18-3-2-4-19(11-18)13-24(32)34-17-20(25)15-29-7-9-33-10-8-29/h2-6,11,14,16,20H,7-10,12-13,15,17H2,1H3
InChIKeyAZQPGRBBIOLEDJ-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.31
Rot. Bonds9

About (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate

(2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate (PubChem CID 157280886) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate.

Molecular Properties

Compound Name(2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
PubChem CID157280886
Molecular FormulaC24H28FN5O4
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC Name(2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(CC(=O)OCC(F)CN4CCOCC4)c3)n2)cn1
InChIInChI=1S/C24H28FN5O4/c1-28-16-21(14-26-28)30-6-5-23(31)22(27-30)12-18-3-2-4-19(11-18)13-24(32)34-17-20(25)15-29-7-9-33-10-8-29/h2-6,11,14,16,20H,7-10,12-13,15,17H2,1H3
InChIKeyAZQPGRBBIOLEDJ-UHFFFAOYSA-N
XLogP1.31
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate?
The IUPAC name of (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate (CID 157280886) is (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate.
What is the SMILES notation for (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate?
The canonical SMILES for (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate is Cn1cc(-n2ccc(=O)c(Cc3cccc(CC(=O)OCC(F)CN4CCOCC4)c3)n2)cn1.
What is the InChIKey of (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate?
The InChIKey is AZQPGRBBIOLEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-28-16-21(14-26-28)30-6-5-23(31)22(27-30)12-18-3-2-4-19(11-18)13-24(32)34-17-20(25)15-29-7-9-33-10-8-29/h2-6,11,14,16,20H,7-10,12-13,15,17H2,1H3.
What are the key properties of (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate?
(2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate has a molecular weight of 469.52 g/mol, XLogP of 1.31, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-morpholin-4-ylpropyl) 2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate is sourced from PubChem (CID 157280886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).