1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea

C17H18N4O3 — CID 2811427

IUPAC1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nn(C)c2cccc(OC)c12
InChIInChI=1S/C17H18N4O3/c1-21-12-8-6-10-14(24-3)15(12)16(20-21)19-17(22)18-11-7-4-5-9-13(11)23-2/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKeyJTBMRDKIPGSWTG-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea

1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea (PubChem CID 2811427) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea
PubChem CID2811427
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nn(C)c2cccc(OC)c12
InChIInChI=1S/C17H18N4O3/c1-21-12-8-6-10-14(24-3)15(12)16(20-21)19-17(22)18-11-7-4-5-9-13(11)23-2/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKeyJTBMRDKIPGSWTG-UHFFFAOYSA-N
XLogP3.23
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)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 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea (CID 2811427) is 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1nn(C)c2cccc(OC)c12.
What is the InChIKey of 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is JTBMRDKIPGSWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21-12-8-6-10-14(24-3)15(12)16(20-21)19-17(22)18-11-7-4-5-9-13(11)23-2/h4-10H,1-3H3,(H2,18,19,20,22).
What are the key properties of 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea?
1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 326.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylindazol-3-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2811427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).