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

C23H26N6O3 — CID 122354979

IUPAC1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1
InChIInChI=1S/C23H26N6O3/c1-2-32-21-9-7-19(8-10-21)27-23(30)26-18-5-3-17(4-6-18)25-22-15-20(16-24-28-22)29-11-13-31-14-12-29/h3-10,15-16H,2,11-14H2,1H3,(H,25,28)(H2,26,27,30)
InChIKeyBPDVFBVVKNLDDH-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.10
Rot. Bonds7

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

1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (PubChem CID 122354979) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
PubChem CID122354979
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1
InChIInChI=1S/C23H26N6O3/c1-2-32-21-9-7-19(8-10-21)27-23(30)26-18-5-3-17(4-6-18)25-22-15-20(16-24-28-22)29-11-13-31-14-12-29/h3-10,15-16H,2,11-14H2,1H3,(H,25,28)(H2,26,27,30)
InChIKeyBPDVFBVVKNLDDH-UHFFFAOYSA-N
XLogP4.10
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355154
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea (CID 122354979) is 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
The InChIKey is BPDVFBVVKNLDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-2-32-21-9-7-19(8-10-21)27-23(30)26-18-5-3-17(4-6-18)25-22-15-20(16-24-28-22)29-11-13-31-14-12-29/h3-10,15-16H,2,11-14H2,1H3,(H,25,28)(H2,26,27,30).
What are the key properties of 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea?
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea has a molecular weight of 434.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea is sourced from PubChem (CID 122354979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).