1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea

C28H31N5O2 — CID 86710981

IUPAC1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C28H31N5O2/c1-3-19-6-5-7-20(4-2)26(19)30-28(34)29-22-10-13-25-24(18-22)27(32-31-25)21-8-11-23(12-9-21)33-14-16-35-17-15-33/h5-13,18H,3-4,14-17H2,1-2H3,(H,31,32)(H2,29,30,34)
InChIKeyOICRUCLHDMHUFV-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.84
Rot. Bonds6

About 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea

1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea (PubChem CID 86710981) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
PubChem CID86710981
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C28H31N5O2/c1-3-19-6-5-7-20(4-2)26(19)30-28(34)29-22-10-13-25-24(18-22)27(32-31-25)21-8-11-23(12-9-21)33-14-16-35-17-15-33/h5-13,18H,3-4,14-17H2,1-2H3,(H,31,32)(H2,29,30,34)
InChIKeyOICRUCLHDMHUFV-UHFFFAOYSA-N
XLogP5.84
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide
CID 134567176
6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide
CID 155134882
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
N-[3-(4-phosphanylphenyl)-1H-indazol-5-yl]acetamide
CID 143488725
1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
CID 53476641
(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 24866313
N-[3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 71549883
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea (CID 86710981) is 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea is CCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea?
The InChIKey is OICRUCLHDMHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-3-19-6-5-7-20(4-2)26(19)30-28(34)29-22-10-13-25-24(18-22)27(32-31-25)21-8-11-23(12-9-21)33-14-16-35-17-15-33/h5-13,18H,3-4,14-17H2,1-2H3,(H,31,32)(H2,29,30,34).
What are the key properties of 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea?
1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea has a molecular weight of 469.59 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea is sourced from PubChem (CID 86710981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).