1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea

C22H24N6O3 — CID 122354960

IUPAC1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1
InChIInChI=1S/C22H24N6O3/c1-30-20-8-6-18(7-9-20)26-22(29)25-17-4-2-16(3-5-17)24-21-14-19(15-23-27-21)28-10-12-31-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,24,27)(H2,25,26,29)
InChIKeyLNKUPBKMQMEHSG-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea

1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (PubChem CID 122354960) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
PubChem CID122354960
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1
InChIInChI=1S/C22H24N6O3/c1-30-20-8-6-18(7-9-20)26-22(29)25-17-4-2-16(3-5-17)24-21-14-19(15-23-27-21)28-10-12-31-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,24,27)(H2,25,26,29)
InChIKeyLNKUPBKMQMEHSG-UHFFFAOYSA-N
XLogP3.71
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea with MolForge

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Related Compounds

1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355154
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122355098
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (CID 122354960) is 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The InChIKey is LNKUPBKMQMEHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-30-20-8-6-18(7-9-20)26-22(29)25-17-4-2-16(3-5-17)24-21-14-19(15-23-27-21)28-10-12-31-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,24,27)(H2,25,26,29).
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea has a molecular weight of 420.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is sourced from PubChem (CID 122354960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).