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

C22H23ClN6O2 — CID 122354963

IUPAC1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1Cl
InChIInChI=1S/C22H23ClN6O2/c1-15-2-3-18(12-20(15)23)27-22(30)26-17-6-4-16(5-7-17)25-21-13-19(14-24-28-21)29-8-10-31-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,25,28)(H2,26,27,30)
InChIKeyTZBUVSJQYMFNQD-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.66
Rot. Bonds5

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

1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (PubChem CID 122354963) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
PubChem CID122354963
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1Cl
InChIInChI=1S/C22H23ClN6O2/c1-15-2-3-18(12-20(15)23)27-22(30)26-17-6-4-16(5-7-17)25-21-13-19(14-24-28-21)29-8-10-31-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,25,28)(H2,26,27,30)
InChIKeyTZBUVSJQYMFNQD-UHFFFAOYSA-N
XLogP4.66
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
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
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide
CID 122355071
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (CID 122354963) is 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The InChIKey is TZBUVSJQYMFNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-15-2-3-18(12-20(15)23)27-22(30)26-17-6-4-16(5-7-17)25-21-13-19(14-24-28-21)29-8-10-31-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,25,28)(H2,26,27,30).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea has a molecular weight of 438.92 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is sourced from PubChem (CID 122354963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).