3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea

C26H36N6O3 — CID 68517775

IUPAC3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1
InChIInChI=1S/C26H36N6O3/c1-30(2)11-12-32(19-20-7-6-8-23(15-20)34-5)26(33)29-24-10-9-21(22-17-27-28-18-22)16-25(24)35-14-13-31(3)4/h6-10,15-18H,11-14,19H2,1-5H3,(H,27,28)(H,29,33)
InChIKeyWSHAJIVCJZGUKJ-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.62
Rot. Bonds12

About 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea

3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea (PubChem CID 68517775) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea
PubChem CID68517775
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1
InChIInChI=1S/C26H36N6O3/c1-30(2)11-12-32(19-20-7-6-8-23(15-20)34-5)26(33)29-24-10-9-21(22-17-27-28-18-22)16-25(24)35-14-13-31(3)4/h6-10,15-18H,11-14,19H2,1-5H3,(H,27,28)(H,29,33)
InChIKeyWSHAJIVCJZGUKJ-UHFFFAOYSA-N
XLogP3.62
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea (CID 68517775) is 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea is COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea?
The InChIKey is WSHAJIVCJZGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-30(2)11-12-32(19-20-7-6-8-23(15-20)34-5)26(33)29-24-10-9-21(22-17-27-28-18-22)16-25(24)35-14-13-31(3)4/h6-10,15-18H,11-14,19H2,1-5H3,(H,27,28)(H,29,33).
What are the key properties of 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea?
3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea has a molecular weight of 480.61 g/mol, XLogP of 3.62, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 68517775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).