1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea

C25H28FN5O3 — CID 143480965

IUPAC1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1cc(F)cc(-c2ccc(=O)n(Cc3cccc(NC(=O)NCCN4CCOCC4)c3)n2)c1
InChIInChI=1S/C25H28FN5O3/c1-18-13-20(16-21(26)14-18)23-5-6-24(32)31(29-23)17-19-3-2-4-22(15-19)28-25(33)27-7-8-30-9-11-34-12-10-30/h2-6,13-16H,7-12,17H2,1H3,(H2,27,28,33)
InChIKeyRPICSRXGFNYSNH-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.86
Rot. Bonds7

About 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea

1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 143480965) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID143480965
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1cc(F)cc(-c2ccc(=O)n(Cc3cccc(NC(=O)NCCN4CCOCC4)c3)n2)c1
InChIInChI=1S/C25H28FN5O3/c1-18-13-20(16-21(26)14-18)23-5-6-24(32)31(29-23)17-19-3-2-4-22(15-19)28-25(33)27-7-8-30-9-11-34-12-10-30/h2-6,13-16H,7-12,17H2,1H3,(H2,27,28,33)
InChIKeyRPICSRXGFNYSNH-UHFFFAOYSA-N
XLogP2.86
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea with MolForge

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Related Compounds

3-morpholin-4-ylpropyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849760
3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 90408635
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90409627
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90410070
3-(2-Fluoro-phenyl)-1-(8-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-(2-morpholin-4-yl-ethyl)-urea
CID 648009
1-N-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-N,4-N-diethylpiperidine-1,4-dicarboxamide
CID 72196358
4-N,4-N-diethyl-1-N-[3-[[3-(3-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]piperidine-1,4-dicarboxamide
CID 72199159
N-(4-fluorophenyl)-5-(4-methylphenyl)-5-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134135105
1-(6-Ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(2-fluoro-phenyl)-1-(2-morpholin-4-yl-ethyl)-urea
CID 645912
N-(4-Morpholin-4-yl-phenyl)-2-(6-oxo-3-o-tolyl-6H-pyridazin-1-yl)-acetamide
CID 646912
4-N,4-N-diethyl-1-N-[3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]piperidine-1,4-dicarboxamide
CID 72199158
4-N,4-N-diethyl-1-N-[3-[(6-oxo-3-phenylpyridazin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide
CID 73351902

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea (CID 143480965) is 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea is Cc1cc(F)cc(-c2ccc(=O)n(Cc3cccc(NC(=O)NCCN4CCOCC4)c3)n2)c1.
What is the InChIKey of 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is RPICSRXGFNYSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-18-13-20(16-21(26)14-18)23-5-6-24(32)31(29-23)17-19-3-2-4-22(15-19)28-25(33)27-7-8-30-9-11-34-12-10-30/h2-6,13-16H,7-12,17H2,1H3,(H2,27,28,33).
What are the key properties of 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea?
1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 465.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 143480965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).