[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid

C24H24F2N4O4 — CID 70871584

IUPAC[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid
SMILESO=C(O)N(CCN1CCOCC1)c1cccc(Cc2nn(-c3cc(F)cc(F)c3)ccc2=O)c1
InChIInChI=1S/C24H24F2N4O4/c25-18-14-19(26)16-21(15-18)30-5-4-23(31)22(27-30)13-17-2-1-3-20(12-17)29(24(32)33)7-6-28-8-10-34-11-9-28/h1-5,12,14-16H,6-11,13H2,(H,32,33)
InChIKeyVGEIYEAEAJMUTA-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.92
Rot. Bonds7

About [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid

[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid (PubChem CID 70871584) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid.

Molecular Properties

Compound Name[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid
PubChem CID70871584
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid
SMILESO=C(O)N(CCN1CCOCC1)c1cccc(Cc2nn(-c3cc(F)cc(F)c3)ccc2=O)c1
InChIInChI=1S/C24H24F2N4O4/c25-18-14-19(26)16-21(15-18)30-5-4-23(31)22(27-30)13-17-2-1-3-20(12-17)29(24(32)33)7-6-28-8-10-34-11-9-28/h1-5,12,14-16H,6-11,13H2,(H,32,33)
InChIKeyVGEIYEAEAJMUTA-UHFFFAOYSA-N
XLogP2.92
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid?
The IUPAC name of [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid (CID 70871584) is [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid.
What is the SMILES notation for [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid?
The canonical SMILES for [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid is O=C(O)N(CCN1CCOCC1)c1cccc(Cc2nn(-c3cc(F)cc(F)c3)ccc2=O)c1.
What is the InChIKey of [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid?
The InChIKey is VGEIYEAEAJMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c25-18-14-19(26)16-21(15-18)30-5-4-23(31)22(27-30)13-17-2-1-3-20(12-17)29(24(32)33)7-6-28-8-10-34-11-9-28/h1-5,12,14-16H,6-11,13H2,(H,32,33).
What are the key properties of [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid?
[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid has a molecular weight of 470.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-(2-morpholin-4-ylethyl)carbamic acid is sourced from PubChem (CID 70871584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).