1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

C23H23N5O2 — CID 11452379

IUPAC1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4CCO)cc2)c1
InChIInChI=1S/C23H23N5O2/c1-15-4-2-5-18(14-15)26-23(30)25-17-10-8-16(9-11-17)19-6-3-7-20-21(19)22(24)27-28(20)12-13-29/h2-11,14,29H,12-13H2,1H3,(H2,24,27)(H2,25,26,30)
InChIKeyGRWZZLSYMYWWDR-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.23
Rot. Bonds5

About 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 11452379) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
PubChem CID11452379
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4CCO)cc2)c1
InChIInChI=1S/C23H23N5O2/c1-15-4-2-5-18(14-15)26-23(30)25-17-10-8-16(9-11-17)19-6-3-7-20-21(19)22(24)27-28(20)12-13-29/h2-11,14,29H,12-13H2,1H3,(H2,24,27)(H2,25,26,30)
InChIKeyGRWZZLSYMYWWDR-UHFFFAOYSA-N
XLogP4.23
TPSA105.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)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-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (CID 11452379) is 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4CCO)cc2)c1.
What is the InChIKey of 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The InChIKey is GRWZZLSYMYWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-4-2-5-18(14-15)26-23(30)25-17-10-8-16(9-11-17)19-6-3-7-20-21(19)22(24)27-28(20)12-13-29/h2-11,14,29H,12-13H2,1H3,(H2,24,27)(H2,25,26,30).
What are the key properties of 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 401.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-1-(2-hydroxyethyl)indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 11452379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).