N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide

C15H9F2N3O3 — CID 25341668

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1n[nH]c2ccccc12
InChIInChI=1S/C15H9F2N3O3/c16-15(17)22-11-6-5-8(7-12(11)23-15)18-14(21)13-9-3-1-2-4-10(9)19-20-13/h1-7H,(H,18,21)(H,19,20)
InChIKeyIKHGUVNSNGRTAU-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.14
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide (PubChem CID 25341668) has the molecular formula C15H9F2N3O3 and a molecular weight of 317.25 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide
PubChem CID25341668
Molecular FormulaC15H9F2N3O3
Molecular Weight317.25 g/mol
Exact Mass317.06
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)c1n[nH]c2ccccc12
InChIInChI=1S/C15H9F2N3O3/c16-15(17)22-11-6-5-8(7-12(11)23-15)18-14(21)13-9-3-1-2-4-10(9)19-20-13/h1-7H,(H,18,21)(H,19,20)
InChIKeyIKHGUVNSNGRTAU-UHFFFAOYSA-N
XLogP3.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-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-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide
CID 38588569
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807870
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
CID 47177474
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461
N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide (CID 25341668) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is IKHGUVNSNGRTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O3/c16-15(17)22-11-6-5-8(7-12(11)23-15)18-14(21)13-9-3-1-2-4-10(9)19-20-13/h1-7H,(H,18,21)(H,19,20).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 25341668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).