1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea

C25H26N4O4 — CID 92875917

IUPAC1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4/c1-31-22-11-17(12-23(32-2)24(22)33-3)29-25(30)28-14-19(16-7-6-10-26-13-16)20-15-27-21-9-5-4-8-18(20)21/h4-13,15,19,27H,14H2,1-3H3,(H2,28,29,30)/t19-/m1/s1
InChIKeyGWZLRKFYXNEMHJ-LJQANCHMSA-N
MW446.51 g/mol
LogP4.54
Rot. Bonds8

About 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 92875917) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID92875917
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4/c1-31-22-11-17(12-23(32-2)24(22)33-3)29-25(30)28-14-19(16-7-6-10-26-13-16)20-15-27-21-9-5-4-8-18(20)21/h4-13,15,19,27H,14H2,1-3H3,(H2,28,29,30)/t19-/m1/s1
InChIKeyGWZLRKFYXNEMHJ-LJQANCHMSA-N
XLogP4.54
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)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-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474
1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801426
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-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
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
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(2-ethylphenyl)urea
CID 92876005

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 92875917) is 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is GWZLRKFYXNEMHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-31-22-11-17(12-23(32-2)24(22)33-3)29-25(30)28-14-19(16-7-6-10-26-13-16)20-15-27-21-9-5-4-8-18(20)21/h4-13,15,19,27H,14H2,1-3H3,(H2,28,29,30)/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 446.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 92875917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).