1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

C20H14F2N4O — CID 46386740

IUPAC1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1c(-c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C20H14F2N4O/c21-13-7-8-17(15(22)10-13)25-20(27)26-19-14-5-1-2-6-16(14)24-18(19)12-4-3-9-23-11-12/h1-11,24H,(H2,25,26,27)
InChIKeyPTXUMUUIIXTSFW-UHFFFAOYSA-N
MW364.36 g/mol
LogP5.15
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea (PubChem CID 46386740) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
PubChem CID46386740
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1c(-c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C20H14F2N4O/c21-13-7-8-17(15(22)10-13)25-20(27)26-19-14-5-1-2-6-16(14)24-18(19)12-4-3-9-23-11-12/h1-11,24H,(H2,25,26,27)
InChIKeyPTXUMUUIIXTSFW-UHFFFAOYSA-N
XLogP5.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)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-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386711
1-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2-phenylethyl)urea
CID 46386788
1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386775
1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea
CID 46386755
1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
CID 53114241
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599
1-(2-chloro-4-methylphenyl)-3-(5-fluoro-2-pyridin-4-yl-1H-indol-3-yl)urea
CID 46386819
ethyl 2-[1-[(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]cyclohexyl]acetate
CID 46386793
N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125169
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea (CID 46386740) is 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea is O=C(Nc1ccc(F)cc1F)Nc1c(-c2cccnc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
The InChIKey is PTXUMUUIIXTSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-13-7-8-17(15(22)10-13)25-20(27)26-19-14-5-1-2-6-16(14)24-18(19)12-4-3-9-23-11-12/h1-11,24H,(H2,25,26,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea has a molecular weight of 364.36 g/mol, XLogP of 5.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea is sourced from PubChem (CID 46386740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).