1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea

C15H14FN5O — CID 25009850

IUPAC1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
SMILESNc1n[nH]c2ccc(NC(=O)NCc3cccc(F)c3)cc12
InChIInChI=1S/C15H14FN5O/c16-10-3-1-2-9(6-10)8-18-15(22)19-11-4-5-13-12(7-11)14(17)21-20-13/h1-7H,8H2,(H3,17,20,21)(H2,18,19,22)
InChIKeyYXINOFHPZGFUMB-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.61
Rot. Bonds3

About 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea

1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea (PubChem CID 25009850) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
PubChem CID25009850
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
SMILESNc1n[nH]c2ccc(NC(=O)NCc3cccc(F)c3)cc12
InChIInChI=1S/C15H14FN5O/c16-10-3-1-2-9(6-10)8-18-15(22)19-11-4-5-13-12(7-11)14(17)21-20-13/h1-7H,8H2,(H3,17,20,21)(H2,18,19,22)
InChIKeyYXINOFHPZGFUMB-UHFFFAOYSA-N
XLogP2.61
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea 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

1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-benzyl-3-(9H-carbazol-3-yl)urea
CID 118398507
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
1-[(3-fluorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 108898480
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea (CID 25009850) is 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea is Nc1n[nH]c2ccc(NC(=O)NCc3cccc(F)c3)cc12.
What is the InChIKey of 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is YXINOFHPZGFUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-10-3-1-2-9(6-10)8-18-15(22)19-11-4-5-13-12(7-11)14(17)21-20-13/h1-7H,8H2,(H3,17,20,21)(H2,18,19,22).
What are the key properties of 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea?
1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 299.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 25009850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).