1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea

C22H21N5O — CID 11176194

IUPAC1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/C22H21N5O/c1-14-5-3-6-17(13-14)25-22(28)24-16-11-9-15(10-12-16)18-7-4-8-19-20(18)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28)
InChIKeyKXGKWKJLQVNQML-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.77
Rot. Bonds3

About 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 11176194) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID11176194
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/C22H21N5O/c1-14-5-3-6-17(13-14)25-22(28)24-16-11-9-15(10-12-16)18-7-4-8-19-20(18)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28)
InChIKeyKXGKWKJLQVNQML-UHFFFAOYSA-N
XLogP4.77
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-amino-1-methylindazol-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-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea (CID 11176194) is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1.
What is the InChIKey of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is KXGKWKJLQVNQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-5-3-6-17(13-14)25-22(28)24-16-11-9-15(10-12-16)18-7-4-8-19-20(18)21(23)26-27(19)2/h3-13H,1-2H3,(H2,23,26)(H2,24,25,28).
What are the key properties of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 371.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 11176194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).