N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide

C16H14FIN4O2 — CID 44603148

IUPACN-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
SMILESCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyBEYHNMFRDWRJGB-UHFFFAOYSA-N
MW440.22 g/mol
LogP3.73
Rot. Bonds5

About N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide

N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide (PubChem CID 44603148) has the molecular formula C16H14FIN4O2 and a molecular weight of 440.22 g/mol. Its IUPAC name is N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
PubChem CID44603148
Molecular FormulaC16H14FIN4O2
Molecular Weight440.22 g/mol
Exact Mass440.01
IUPAC NameN-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
SMILESCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyBEYHNMFRDWRJGB-UHFFFAOYSA-N
XLogP3.73
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.22
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide 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

4-[(2-Fluoro-4-Iodophenyl)amino]-N-(2-Hydroxyethoxy)-1h-Indazole-5-Carboxamide
CID 44545708
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
4-(2-Fluoro-4-iodophenylamino)-1H-indazole-5-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide
CID 44603143
5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide
CID 5304147
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
2-{4-[(Ethylamino)methyl]phenyl}-2H-indazole-7-carboxamide
CID 44549776
2-(4-{[(2-Fluoroethyl)amino]methyl}phenyl)-2H-indazole-7-carboxamide
CID 44549777
4-(4-Bromo-2-fluoro-phenylamino)-1H-indazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide
CID 44603144
4-(2-Fluoro-4-iodo-phenylamino)-1H-indazole-5-carboxylic acid cyclopropylmethoxy-amide
CID 44603204
2-(3-fluoro-4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226377
5-fluoro-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226396
6-fluoro-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226397

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
The IUPAC name of N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide (CID 44603148) is N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
The canonical SMILES for N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide is CCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
The InChIKey is BEYHNMFRDWRJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23).
What are the key properties of N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide has a molecular weight of 440.22 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide is sourced from PubChem (CID 44603148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).