1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea

C24H27N5O2 — CID 44533225

IUPAC1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3ccncc3)c2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H27N5O2/c1-28-12-14-29(15-13-28)22-17-21(6-7-23(22)31-2)27-24(30)26-20-5-3-4-19(16-20)18-8-10-25-11-9-18/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,30)
InChIKeyVWVQEXOPOOIFRS-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.15
Rot. Bonds5

About 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea

1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea (PubChem CID 44533225) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea
PubChem CID44533225
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3ccncc3)c2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H27N5O2/c1-28-12-14-29(15-13-28)22-17-21(6-7-23(22)31-2)27-24(30)26-20-5-3-4-19(16-20)18-8-10-25-11-9-18/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,30)
InChIKeyVWVQEXOPOOIFRS-UHFFFAOYSA-N
XLogP4.15
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea with MolForge

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Related Compounds

Rho-Kinase-IN-2
CID 155749520
4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 155749636
4-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 10530035
7-{4-[4-(4-Fluoro-phenyl)-pyridin-2-ylmethyl]-piperazin-1-yl}-3H-benzooxazol-2-one
CID 15410410
GR-125743
CID 5311130
[3H]GR 125,743
CID 53321959
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
4-(1H-Indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 9824884
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 9865842
4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10096048
1-(3-Amino-5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 10187149
4-(5-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 10412189

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea (CID 44533225) is 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea is COc1ccc(NC(=O)Nc2cccc(-c3ccncc3)c2)cc1N1CCN(C)CC1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea?
The InChIKey is VWVQEXOPOOIFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28-12-14-29(15-13-28)22-17-21(6-7-23(22)31-2)27-24(30)26-20-5-3-4-19(16-20)18-8-10-25-11-9-18/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea?
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea has a molecular weight of 417.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 44533225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).