1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

C22H20N4O3 — CID 46386711

IUPAC1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccccc23)c1
InChIInChI=1S/C22H20N4O3/c1-28-15-9-10-19(29-2)18(12-15)25-22(27)26-21-16-7-3-4-8-17(16)24-20(21)14-6-5-11-23-13-14/h3-13,24H,1-2H3,(H2,25,26,27)
InChIKeyGAQSFIWCWFGBGN-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.89
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea (PubChem CID 46386711) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
PubChem CID46386711
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccccc23)c1
InChIInChI=1S/C22H20N4O3/c1-28-15-9-10-19(29-2)18(12-15)25-22(27)26-21-16-7-3-4-8-17(16)24-20(21)14-6-5-11-23-13-14/h3-13,24H,1-2H3,(H2,25,26,27)
InChIKeyGAQSFIWCWFGBGN-UHFFFAOYSA-N
XLogP4.89
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea
CID 46386755
1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114266
1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
CID 53114241
1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386740
1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114255
1-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 46386809
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474
1-(4-ethoxyphenyl)-3-(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386775
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
1-(2,5-dimethoxyphenyl)-3-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]urea
CID 59280187
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea
CID 141154367

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea (CID 46386711) is 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea is COc1ccc(OC)c(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccccc23)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
The InChIKey is GAQSFIWCWFGBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-15-9-10-19(29-2)18(12-15)25-22(27)26-21-16-7-3-4-8-17(16)24-20(21)14-6-5-11-23-13-14/h3-13,24H,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea?
1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea has a molecular weight of 388.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea is sourced from PubChem (CID 46386711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).