1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea

C26H31N5O4 — CID 16747501

IUPAC1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(Cn2nc(-c3cccc(OCCN4CCOCC4)c3)ccc2=O)cc1
InChIInChI=1S/C26H31N5O4/c1-2-27-26(33)28-22-8-6-20(7-9-22)19-31-25(32)11-10-24(29-31)21-4-3-5-23(18-21)35-17-14-30-12-15-34-16-13-30/h3-11,18H,2,12-17,19H2,1H3,(H2,27,28,33)
InChIKeyPZLWJFBXFJYEDD-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.81
Rot. Bonds9

About 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea

1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea (PubChem CID 16747501) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
PubChem CID16747501
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(Cn2nc(-c3cccc(OCCN4CCOCC4)c3)ccc2=O)cc1
InChIInChI=1S/C26H31N5O4/c1-2-27-26(33)28-22-8-6-20(7-9-22)19-31-25(32)11-10-24(29-31)21-4-3-5-23(18-21)35-17-14-30-12-15-34-16-13-30/h3-11,18H,2,12-17,19H2,1H3,(H2,27,28,33)
InChIKeyPZLWJFBXFJYEDD-UHFFFAOYSA-N
XLogP2.81
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-3-[3-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea
CID 59849671
1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea
CID 16747560
3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate
CID 16746770
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
3-[1-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 68509959
6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 46836396
ethyl N-[3-[[3-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406777
4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074
1-ethyl-3-(2-methylpropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111180353
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
ethane;molecular hydrogen;N-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)ethoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 145459204

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea (CID 16747501) is 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea is CCNC(=O)Nc1ccc(Cn2nc(-c3cccc(OCCN4CCOCC4)c3)ccc2=O)cc1.
What is the InChIKey of 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea?
The InChIKey is PZLWJFBXFJYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-2-27-26(33)28-22-8-6-20(7-9-22)19-31-25(32)11-10-24(29-31)21-4-3-5-23(18-21)35-17-14-30-12-15-34-16-13-30/h3-11,18H,2,12-17,19H2,1H3,(H2,27,28,33).
What are the key properties of 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea?
1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea has a molecular weight of 477.57 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[[3-[3-(2-morpholin-4-ylethoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]urea is sourced from PubChem (CID 16747501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).