7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide

C23H20F3N5O5S — CID 155193354

IUPAC7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(C(=O)NCCCO)[nH]nc3c2F)c1F
InChIInChI=1S/C23H20F3N5O5S/c1-36-23-17(10-12(24)11-28-23)37(34,35)31-16-5-2-4-13(18(16)25)14-6-7-15-20(19(14)26)29-30-21(15)22(33)27-8-3-9-32/h2,4-7,10-11,31-32H,3,8-9H2,1H3,(H,27,33)(H,29,30)
InChIKeySMGIVBJGZMCYKP-UHFFFAOYSA-N
MW535.50 g/mol
LogP2.96
Rot. Bonds9

About 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide

7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide (PubChem CID 155193354) has the molecular formula C23H20F3N5O5S and a molecular weight of 535.50 g/mol. Its IUPAC name is 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide
PubChem CID155193354
Molecular FormulaC23H20F3N5O5S
Molecular Weight535.50 g/mol
Exact Mass535.11
IUPAC Name7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(C(=O)NCCCO)[nH]nc3c2F)c1F
InChIInChI=1S/C23H20F3N5O5S/c1-36-23-17(10-12(24)11-28-23)37(34,35)31-16-5-2-4-13(18(16)25)14-6-7-15-20(19(14)26)29-30-21(15)22(33)27-8-3-9-32/h2,4-7,10-11,31-32H,3,8-9H2,1H3,(H,27,33)(H,29,30)
InChIKeySMGIVBJGZMCYKP-UHFFFAOYSA-N
XLogP2.96
TPSA146.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.50
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide?
The IUPAC name of 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide (CID 155193354) is 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide.
What is the SMILES notation for 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide?
The canonical SMILES for 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide is COc1ncc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(C(=O)NCCCO)[nH]nc3c2F)c1F.
What is the InChIKey of 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide?
The InChIKey is SMGIVBJGZMCYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O5S/c1-36-23-17(10-12(24)11-28-23)37(34,35)31-16-5-2-4-13(18(16)25)14-6-7-15-20(19(14)26)29-30-21(15)22(33)27-8-3-9-32/h2,4-7,10-11,31-32H,3,8-9H2,1H3,(H,27,33)(H,29,30).
What are the key properties of 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide?
7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide has a molecular weight of 535.50 g/mol, XLogP of 2.96, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-fluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-(3-hydroxypropyl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).