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

C20H16ClN5O — CID 150521477

IUPAC1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea
SMILESNC(=O)N(c1ccc(-c2cccc3[nH]nc(N)c23)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H16ClN5O/c21-13-3-1-4-15(11-13)26(20(23)27)14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-24-17/h1-11H,(H2,23,27)(H3,22,24,25)
InChIKeyIBYCDIZLPYBUER-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.68
Rot. Bonds3

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

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea (PubChem CID 150521477) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea
PubChem CID150521477
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea
SMILESNC(=O)N(c1ccc(-c2cccc3[nH]nc(N)c23)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H16ClN5O/c21-13-3-1-4-15(11-13)26(20(23)27)14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-24-17/h1-11H,(H2,23,27)(H3,22,24,25)
InChIKeyIBYCDIZLPYBUER-UHFFFAOYSA-N
XLogP4.68
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)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-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea (CID 150521477) is 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea is NC(=O)N(c1ccc(-c2cccc3[nH]nc(N)c23)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea?
The InChIKey is IBYCDIZLPYBUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-13-3-1-4-15(11-13)26(20(23)27)14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(22)25-24-17/h1-11H,(H2,23,27)(H3,22,24,25).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea?
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea has a molecular weight of 377.84 g/mol, XLogP of 4.68, 3 rotatable bonds, 3 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]-1-(3-chlorophenyl)urea is sourced from PubChem (CID 150521477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).