1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide

C22H19F2N5O2S — CID 74221387

IUPAC1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide
SMILESNC1Cc2cccc(Cn3ncc4cc(S(=O)(=O)Nc5cccc(F)n5)c(F)cc43)c2C1
InChIInChI=1S/C22H19F2N5O2S/c23-18-10-19-15(8-20(18)32(30,31)28-22-6-2-5-21(24)27-22)11-26-29(19)12-14-4-1-3-13-7-16(25)9-17(13)14/h1-6,8,10-11,16H,7,9,12,25H2,(H,27,28)
InChIKeyAYFXUDMBPRBAPJ-UHFFFAOYSA-N
MW455.49 g/mol
LogP2.98
Rot. Bonds5

About 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide

1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide (PubChem CID 74221387) has the molecular formula C22H19F2N5O2S and a molecular weight of 455.49 g/mol. Its IUPAC name is 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide
PubChem CID74221387
Molecular FormulaC22H19F2N5O2S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide
SMILESNC1Cc2cccc(Cn3ncc4cc(S(=O)(=O)Nc5cccc(F)n5)c(F)cc43)c2C1
InChIInChI=1S/C22H19F2N5O2S/c23-18-10-19-15(8-20(18)32(30,31)28-22-6-2-5-21(24)27-22)11-26-29(19)12-14-4-1-3-13-7-16(25)9-17(13)14/h1-6,8,10-11,16H,7,9,12,25H2,(H,27,28)
InChIKeyAYFXUDMBPRBAPJ-UHFFFAOYSA-N
XLogP2.98
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide 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-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide?
The IUPAC name of 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide (CID 74221387) is 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide.
What is the SMILES notation for 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide?
The canonical SMILES for 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide is NC1Cc2cccc(Cn3ncc4cc(S(=O)(=O)Nc5cccc(F)n5)c(F)cc43)c2C1.
What is the InChIKey of 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide?
The InChIKey is AYFXUDMBPRBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S/c23-18-10-19-15(8-20(18)32(30,31)28-22-6-2-5-21(24)27-22)11-26-29(19)12-14-4-1-3-13-7-16(25)9-17(13)14/h1-6,8,10-11,16H,7,9,12,25H2,(H,27,28).
What are the key properties of 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide?
1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide has a molecular weight of 455.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide is sourced from PubChem (CID 74221387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).