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

C24H24N4O3 — CID 50801474

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCC(c2cccnc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H24N4O3/c1-30-17-9-10-23(31-2)22(12-17)28-24(29)27-14-19(16-6-5-11-25-13-16)20-15-26-21-8-4-3-7-18(20)21/h3-13,15,19,26H,14H2,1-2H3,(H2,27,28,29)
InChIKeyRSDMSVKDLPDGTL-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.53
Rot. Bonds7

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

1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea (PubChem CID 50801474) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
PubChem CID50801474
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCC(c2cccnc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H24N4O3/c1-30-17-9-10-23(31-2)22(12-17)28-24(29)27-14-19(16-6-5-11-25-13-16)20-15-26-21-8-4-3-7-18(20)21/h3-13,15,19,26H,14H2,1-2H3,(H2,27,28,29)
InChIKeyRSDMSVKDLPDGTL-UHFFFAOYSA-N
XLogP4.53
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801426
1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92875917
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
1-(4-bromo-2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 46354769
1-(4-bromo-2-fluorophenyl)-3-[(2S)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92875912
ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
CID 92892858
1-(3-bromophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801378
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
CID 92876005
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
methyl 2-[[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]benzoate
CID 46354806
1-(2,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 46354820

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea (CID 50801474) is 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea is COc1ccc(OC)c(NC(=O)NCC(c2cccnc2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea?
The InChIKey is RSDMSVKDLPDGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-17-9-10-23(31-2)22(12-17)28-24(29)27-14-19(16-6-5-11-25-13-16)20-15-26-21-8-4-3-7-18(20)21/h3-13,15,19,26H,14H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea?
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea has a molecular weight of 416.48 g/mol, XLogP of 4.53, 7 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-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 50801474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).