1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea

C20H17N5O — CID 11244819

IUPAC1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
InChIInChI=1S/C20H17N5O/c21-19-18-16(7-4-8-17(18)24-25-19)13-9-11-15(12-10-13)23-20(26)22-14-5-2-1-3-6-14/h1-12H,(H3,21,24,25)(H2,22,23,26)
InChIKeyUXMNYFJHEBEDJS-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.46
Rot. Bonds3

About 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea (PubChem CID 11244819) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea
PubChem CID11244819
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
InChIInChI=1S/C20H17N5O/c21-19-18-16(7-4-8-17(18)24-25-19)13-9-11-15(12-10-13)23-20(26)22-14-5-2-1-3-6-14/h1-12H,(H3,21,24,25)(H2,22,23,26)
InChIKeyUXMNYFJHEBEDJS-UHFFFAOYSA-N
XLogP4.46
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea with MolForge

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

Launch Full Analysis

Related Compounds

CID 11485656
CID 11485656
CID 23646852
CID 23646852
CID 6539551
CID 6539551
CID 6539593
CID 6539593
CID 10085013
CID 10085013
CID 10085818
CID 10085818
CID 16125106
CID 16125106
CID 16125109
CID 16125109
CID 6538887
CID 6538887
CID 10266409
CID 10266409
CID 22319484
CID 22319484
CID 22319694
CID 22319694

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea (CID 11244819) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea is Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea?
The InChIKey is UXMNYFJHEBEDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-19-18-16(7-4-8-17(18)24-25-19)13-9-11-15(12-10-13)23-20(26)22-14-5-2-1-3-6-14/h1-12H,(H3,21,24,25)(H2,22,23,26).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea?
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea has a molecular weight of 343.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 11244819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).