1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea

C22H23N5O3 — CID 43991956

IUPAC1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C22H23N5O3/c1-29-19-7-3-6-18(15-19)24-22(28)23-17-5-2-4-16(14-17)20-8-9-21(26-25-20)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H2,23,24,28)
InChIKeyTWQHRLMQZQIEFW-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.63
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea

1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea (PubChem CID 43991956) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
PubChem CID43991956
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C22H23N5O3/c1-29-19-7-3-6-18(15-19)24-22(28)23-17-5-2-4-16(14-17)20-8-9-21(26-25-20)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H2,23,24,28)
InChIKeyTWQHRLMQZQIEFW-UHFFFAOYSA-N
XLogP3.63
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea (CID 43991956) is 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea is COc1cccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is TWQHRLMQZQIEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-19-7-3-6-18(15-19)24-22(28)23-17-5-2-4-16(14-17)20-8-9-21(26-25-20)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H2,23,24,28).
What are the key properties of 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 405.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43991956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).