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

C22H19FN4O — CID 46386788

IUPAC1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1c(-c2cccnc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C22H19FN4O/c23-17-8-9-19-18(13-17)21(20(26-19)16-7-4-11-24-14-16)27-22(28)25-12-10-15-5-2-1-3-6-15/h1-9,11,13-14,26H,10,12H2,(H2,25,27,28)
InChIKeyVKNRTUJIVRTHBL-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.73
Rot. Bonds5

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

1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea (PubChem CID 46386788) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea
PubChem CID46386788
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1c(-c2cccnc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C22H19FN4O/c23-17-8-9-19-18(13-17)21(20(26-19)16-7-4-11-24-14-16)27-22(28)25-12-10-15-5-2-1-3-6-15/h1-9,11,13-14,26H,10,12H2,(H2,25,27,28)
InChIKeyVKNRTUJIVRTHBL-UHFFFAOYSA-N
XLogP4.73
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386740
1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386775
ethyl 2-[1-[(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]cyclohexyl]acetate
CID 46386793
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
ethyl (3S)-3-[(5-fluoro-2-pyridin-4-yl-1H-indol-3-yl)carbamoylamino]-3-phenylpropanoate
CID 92896277
1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386711
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide
CID 53028070
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067767
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea (CID 46386788) is 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1c(-c2cccnc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea?
The InChIKey is VKNRTUJIVRTHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-17-8-9-19-18(13-17)21(20(26-19)16-7-4-11-24-14-16)27-22(28)25-12-10-15-5-2-1-3-6-15/h1-9,11,13-14,26H,10,12H2,(H2,25,27,28).
What are the key properties of 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea?
1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea has a molecular weight of 374.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 46386788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).