2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide

C22H25F2N5O4S — CID 171395416

IUPAC2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(C(F)F)cc3cn[nH]c23)ccc1N1CCOCC1
InChIInChI=1S/C22H25F2N5O4S/c1-14-9-17(3-4-18(14)29-5-7-33-8-6-29)26-20(30)13-28(2)34(31,32)19-11-15(22(23)24)10-16-12-25-27-21(16)19/h3-4,9-12,22H,5-8,13H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyQVMRSWLLDNIZQQ-UHFFFAOYSA-N
MW493.54 g/mol
LogP2.90
Rot. Bonds7

About 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide

2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide (PubChem CID 171395416) has the molecular formula C22H25F2N5O4S and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
PubChem CID171395416
Molecular FormulaC22H25F2N5O4S
Molecular Weight493.54 g/mol
Exact Mass493.16
IUPAC Name2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(C(F)F)cc3cn[nH]c23)ccc1N1CCOCC1
InChIInChI=1S/C22H25F2N5O4S/c1-14-9-17(3-4-18(14)29-5-7-33-8-6-29)26-20(30)13-28(2)34(31,32)19-11-15(22(23)24)10-16-12-25-27-21(16)19/h3-4,9-12,22H,5-8,13H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyQVMRSWLLDNIZQQ-UHFFFAOYSA-N
XLogP2.90
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide 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

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide
CID 56835059
US20240132480, Example 43
CID 164573492
(2R)-N-(3-chloro-4-morpholino-phenyl)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]azetidine-2-carboxamide
CID 164573822
(2S)-N-(3-chloro-4-morpholino-phenyl)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]azetidine-2-carboxamide
CID 167168310
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395588
US20240132480, Example 101
CID 171902335
N-(3-fluoro-4-morpholino-phenyl)-2-[methyl-[(5-methyl-2H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171395441
N-(3-chloro-4-morpholino-phenyl)-2-[(3-fluoro-5-methyl-1H-indazol-7-yl)sulfonyl-methyl-amino]acetamide
CID 171395596
N-(3-chloro-4-morpholin-4-ylphenyl)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]azetidine-2-carboxamide
CID 171442742
2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide
CID 175971349
N-(3-chloro-4-morpholino-phenyl)-2-[(5-cyclopropyl-1H-indazol-7-yl)sulfonyl-methyl-amino]acetamide
CID 164573440
US20240132480, Example 32
CID 164573674

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide (CID 171395416) is 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(C(F)F)cc3cn[nH]c23)ccc1N1CCOCC1.
What is the InChIKey of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is QVMRSWLLDNIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O4S/c1-14-9-17(3-4-18(14)29-5-7-33-8-6-29)26-20(30)13-28(2)34(31,32)19-11-15(22(23)24)10-16-12-25-27-21(16)19/h3-4,9-12,22H,5-8,13H2,1-2H3,(H,25,27)(H,26,30).
What are the key properties of 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide?
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 493.54 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methylamino]-N-(3-methyl-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 171395416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).