1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea

C23H19N5O3 — CID 44525766

IUPAC1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(-c3ccc4[nH]ncc4c3)cc3c2CNC3=O)c1
InChIInChI=1S/C23H19N5O3/c1-31-17-4-2-3-16(10-17)26-23(30)27-21-9-14(8-18-19(21)12-24-22(18)29)13-5-6-20-15(7-13)11-25-28-20/h2-11H,12H2,1H3,(H,24,29)(H,25,28)(H2,26,27,30)
InChIKeyUAWLDFPCYXVUBB-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.13
Rot. Bonds4

About 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea

1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea (PubChem CID 44525766) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea
PubChem CID44525766
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(-c3ccc4[nH]ncc4c3)cc3c2CNC3=O)c1
InChIInChI=1S/C23H19N5O3/c1-31-17-4-2-3-16(10-17)26-23(30)27-21-9-14(8-18-19(21)12-24-22(18)29)13-5-6-20-15(7-13)11-25-28-20/h2-11H,12H2,1H3,(H,24,29)(H,25,28)(H2,26,27,30)
InChIKeyUAWLDFPCYXVUBB-UHFFFAOYSA-N
XLogP4.13
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-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-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea (CID 44525766) is 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cc(-c3ccc4[nH]ncc4c3)cc3c2CNC3=O)c1.
What is the InChIKey of 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is UAWLDFPCYXVUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-31-17-4-2-3-16(10-17)26-23(30)27-21-9-14(8-18-19(21)12-24-22(18)29)13-5-6-20-15(7-13)11-25-28-20/h2-11H,12H2,1H3,(H,24,29)(H,25,28)(H2,26,27,30).
What are the key properties of 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea?
1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 413.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-indazol-5-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 44525766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).