1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea

C22H19FN4O2 — CID 46386775

IUPAC1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C22H19FN4O2/c1-2-29-17-8-6-16(7-9-17)25-22(28)27-21-18-12-15(23)5-10-19(18)26-20(21)14-4-3-11-24-13-14/h3-13,26H,2H2,1H3,(H2,25,27,28)
InChIKeyMTOQEBOYOQSZDN-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.41
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea

1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea (PubChem CID 46386775) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea
PubChem CID46386775
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C22H19FN4O2/c1-2-29-17-8-6-16(7-9-17)25-22(28)27-21-18-12-15(23)5-10-19(18)26-20(21)14-4-3-11-24-13-14/h3-13,26H,2H2,1H3,(H2,25,27,28)
InChIKeyMTOQEBOYOQSZDN-UHFFFAOYSA-N
XLogP5.41
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea
CID 46386788
ethyl 2-[1-[(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]cyclohexyl]acetate
CID 46386793
1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386740
1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea
CID 46386755
1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386711
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 20952296
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea (CID 46386775) is 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea is CCOc1ccc(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea?
The InChIKey is MTOQEBOYOQSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-2-29-17-8-6-16(7-9-17)25-22(28)27-21-18-12-15(23)5-10-19(18)26-20(21)14-4-3-11-24-13-14/h3-13,26H,2H2,1H3,(H2,25,27,28).
What are the key properties of 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea?
1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea has a molecular weight of 390.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea is sourced from PubChem (CID 46386775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).