1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea

C28H28N4O3 — CID 122183074

IUPAC1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea
SMILESCOc1ccc(-c2cncc(Oc3cccc(NC(=O)Nc4ccc(C(C)(C)C)cc4)c3)n2)cc1
InChIInChI=1S/C28H28N4O3/c1-28(2,3)20-10-12-21(13-11-20)30-27(33)31-22-6-5-7-24(16-22)35-26-18-29-17-25(32-26)19-8-14-23(34-4)15-9-19/h5-18H,1-4H3,(H2,30,31,33)
InChIKeyARZHAECIOKWALG-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.89
Rot. Bonds6

About 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea

1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea (PubChem CID 122183074) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea
PubChem CID122183074
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea
SMILESCOc1ccc(-c2cncc(Oc3cccc(NC(=O)Nc4ccc(C(C)(C)C)cc4)c3)n2)cc1
InChIInChI=1S/C28H28N4O3/c1-28(2,3)20-10-12-21(13-11-20)30-27(33)31-22-6-5-7-24(16-22)35-26-18-29-17-25(32-26)19-8-14-23(34-4)15-9-19/h5-18H,1-4H3,(H2,30,31,33)
InChIKeyARZHAECIOKWALG-UHFFFAOYSA-N
XLogP6.89
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]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-(4-tert-butylphenyl)-3-[3-(6-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]urea
CID 122183092
1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122183073
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[3-(6-thiophen-3-ylpyrazin-2-yl)oxyphenyl]urea
CID 122183078
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
(2R)-N-(3-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086643
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
1-[3-[(2-amino-5-chloro-3-pyridinyl)oxy]phenyl]-3-(4-methoxyphenyl)urea
CID 139489185
N-[7-amino-6-[3-[(4-tert-butylphenyl)carbamoylamino]phenoxy]-1,3-benzothiazol-2-yl]acetamide
CID 88865818

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea (CID 122183074) is 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea is COc1ccc(-c2cncc(Oc3cccc(NC(=O)Nc4ccc(C(C)(C)C)cc4)c3)n2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea?
The InChIKey is ARZHAECIOKWALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-28(2,3)20-10-12-21(13-11-20)30-27(33)31-22-6-5-7-24(16-22)35-26-18-29-17-25(32-26)19-8-14-23(34-4)15-9-19/h5-18H,1-4H3,(H2,30,31,33).
What are the key properties of 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea?
1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea has a molecular weight of 468.56 g/mol, XLogP of 6.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea is sourced from PubChem (CID 122183074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).