1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea

C24H23BrN4O — CID 92876063

IUPAC1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCc1cc(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)ccc1Br
InChIInChI=1S/C24H23BrN4O/c1-16-12-18(9-10-22(16)25)28-24(30)27-14-20(17-6-5-11-26-13-17)21-15-29(2)23-8-4-3-7-19(21)23/h3-13,15,20H,14H2,1-2H3,(H2,27,28,30)/t20-/m1/s1
InChIKeyIIFJUQSFBVMWCO-HXUWFJFHSA-N
MW463.38 g/mol
LogP5.60
Rot. Bonds5

About 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea

1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (PubChem CID 92876063) has the molecular formula C24H23BrN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
PubChem CID92876063
Molecular FormulaC24H23BrN4O
Molecular Weight463.38 g/mol
Exact Mass462.11
IUPAC Name1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
SMILESCc1cc(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)ccc1Br
InChIInChI=1S/C24H23BrN4O/c1-16-12-18(9-10-22(16)25)28-24(30)27-14-20(17-6-5-11-26-13-17)21-15-29(2)23-8-4-3-7-19(21)23/h3-13,15,20H,14H2,1-2H3,(H2,27,28,30)/t20-/m1/s1
InChIKeyIIFJUQSFBVMWCO-HXUWFJFHSA-N
XLogP5.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92892974
1-(3-fluoro-4-methylphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801401
1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
CID 92892988
1-(3-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801348
1-(2-chlorophenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801418
1-(3-bromophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801378
1-[(2S)-2-(1-ethylindol-3-yl)-2-pyridin-3-ylethyl]-3-(3-methylbutyl)urea
CID 92876056
1-[(2R)-2-(1-ethylindol-3-yl)-2-pyridin-3-ylethyl]-3-(3-methylbutyl)urea
CID 92876057
ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
CID 92892858
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92875917

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea (CID 92876063) is 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is Cc1cc(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
The InChIKey is IIFJUQSFBVMWCO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23BrN4O/c1-16-12-18(9-10-22(16)25)28-24(30)27-14-20(17-6-5-11-26-13-17)21-15-29(2)23-8-4-3-7-19(21)23/h3-13,15,20H,14H2,1-2H3,(H2,27,28,30)/t20-/m1/s1.
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea?
1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea has a molecular weight of 463.38 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea is sourced from PubChem (CID 92876063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).