2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

C16H15BrFN5O2S — CID 164573449

IUPAC2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)Sc1cc(Br)cc2c(F)[nH]nc12
InChIInChI=1S/C16H15BrFN5O2S/c1-22-4-3-10(7-14(22)25)19-13(24)8-23(2)26-12-6-9(17)5-11-15(12)20-21-16(11)18/h3-7H,8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyMYUFDXOUWKVABS-UHFFFAOYSA-N
MW440.30 g/mol
LogP2.74
Rot. Bonds5

About 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573449) has the molecular formula C16H15BrFN5O2S and a molecular weight of 440.30 g/mol. Its IUPAC name is 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573449
Molecular FormulaC16H15BrFN5O2S
Molecular Weight440.30 g/mol
Exact Mass439.01
IUPAC Name2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)Sc1cc(Br)cc2c(F)[nH]nc12
InChIInChI=1S/C16H15BrFN5O2S/c1-22-4-3-10(7-14(22)25)19-13(24)8-23(2)26-12-6-9(17)5-11-15(12)20-21-16(11)18/h3-7H,8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyMYUFDXOUWKVABS-UHFFFAOYSA-N
XLogP2.74
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)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

US20240132480, Example 151
CID 164573746
2-[(5-fluoro-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395535
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395558
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573558
2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573796
2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573807
1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
CID 174229752
2-[(5-bromo-1H-indazol-7-yl)sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395569
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide;formaldehyde
CID 164573557
2-[(3,5-dimethyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide;ethane
CID 164573650
2-[(3,5-dimethyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573651

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573449) is 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is CN(CC(=O)Nc1ccn(C)c(=O)c1)Sc1cc(Br)cc2c(F)[nH]nc12.
What is the InChIKey of 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is MYUFDXOUWKVABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O2S/c1-22-4-3-10(7-14(22)25)19-13(24)8-23(2)26-12-6-9(17)5-11-15(12)20-21-16(11)18/h3-7H,8H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 440.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).