N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide

C18H13FN4OS — CID 91199595

IUPACN-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESNc1ccc(-c2ccc3c(NC(=O)c4cccs4)n[nH]c3c2F)cc1
InChIInChI=1S/C18H13FN4OS/c19-15-12(10-3-5-11(20)6-4-10)7-8-13-16(15)22-23-17(13)21-18(24)14-2-1-9-25-14/h1-9H,20H2,(H2,21,22,23,24)
InChIKeyQXAGDKBEFJFWPF-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.26
Rot. Bonds3

About N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide

N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide (PubChem CID 91199595) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
PubChem CID91199595
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC NameN-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESNc1ccc(-c2ccc3c(NC(=O)c4cccs4)n[nH]c3c2F)cc1
InChIInChI=1S/C18H13FN4OS/c19-15-12(10-3-5-11(20)6-4-10)7-8-13-16(15)22-23-17(13)21-18(24)14-2-1-9-25-14/h1-9H,20H2,(H2,21,22,23,24)
InChIKeyQXAGDKBEFJFWPF-UHFFFAOYSA-N
XLogP4.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-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

N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
CID 90732905
N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91808065
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 35342222
N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91530525
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
ethyl 4-(4-fluorophenyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1189205
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 99741546
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
CID 2307498
N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
CID 11989434

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide (CID 91199595) is N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide is Nc1ccc(-c2ccc3c(NC(=O)c4cccs4)n[nH]c3c2F)cc1.
What is the InChIKey of N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is QXAGDKBEFJFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-15-12(10-3-5-11(20)6-4-10)7-8-13-16(15)22-23-17(13)21-18(24)14-2-1-9-25-14/h1-9H,20H2,(H2,21,22,23,24).
What are the key properties of N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91199595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).