1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea

C21H25N5O2 — CID 22118884

IUPAC1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1N1CCN(C)CC1
InChIInChI=1S/C21H25N5O2/c1-25-10-12-26(13-11-25)19-14-15(6-7-20(19)28-2)23-21(27)24-18-5-3-4-17-16(18)8-9-22-17/h3-9,14,22H,10-13H2,1-2H3,(H2,23,24,27)
InChIKeyOQSLMZYVAWJNIR-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.57
Rot. Bonds4

About 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea

1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 22118884) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID22118884
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1N1CCN(C)CC1
InChIInChI=1S/C21H25N5O2/c1-25-10-12-26(13-11-25)19-14-15(6-7-20(19)28-2)23-21(27)24-18-5-3-4-17-16(18)8-9-22-17/h3-9,14,22H,10-13H2,1-2H3,(H2,23,24,27)
InChIKeyOQSLMZYVAWJNIR-UHFFFAOYSA-N
XLogP3.57
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017637
[2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017639
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191516
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
1-[4-(5-cyano-1H-indol-3-yl)butyl]-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 18675609
[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017684
5-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide;5-bromothiophene-2-carboxylic acid
CID 67753976
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191137
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea (CID 22118884) is 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea is COc1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1N1CCN(C)CC1.
What is the InChIKey of 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is OQSLMZYVAWJNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-10-12-26(13-11-25)19-14-15(6-7-20(19)28-2)23-21(27)24-18-5-3-4-17-16(18)8-9-22-17/h3-9,14,22H,10-13H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea?
1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 379.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 22118884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).