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

C17H16FN5O3S — CID 164573683

IUPAC2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)Sc1cc(C=O)cc2c(F)[nH]nc12
InChIInChI=1S/C17H16FN5O3S/c1-22-4-3-11(7-15(22)26)19-14(25)8-23(2)27-13-6-10(9-24)5-12-16(13)20-21-17(12)18/h3-7,9H,8H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyZVDXKFJWEZJNJS-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.79
Rot. Bonds6

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

2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573683) has the molecular formula C17H16FN5O3S and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573683
Molecular FormulaC17H16FN5O3S
Molecular Weight389.41 g/mol
Exact Mass389.10
IUPAC Name2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)Sc1cc(C=O)cc2c(F)[nH]nc12
InChIInChI=1S/C17H16FN5O3S/c1-22-4-3-11(7-15(22)26)19-14(25)8-23(2)27-13-6-10(9-24)5-12-16(13)20-21-17(12)18/h3-7,9H,8H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyZVDXKFJWEZJNJS-UHFFFAOYSA-N
XLogP1.79
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

US20240132480, Example 43
CID 164573492
(2S)-1-[(3-fluoro-5-formyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridyl)azetidine-2-carboxamide
CID 164573676
2-[[5-(difluoromethyl)-3-fluoro-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 164573816
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
3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]amino]sulfanyl-2H-indazole-5-carboxamide
CID 164573610
3-fluoro-N-methoxy-N-methyl-7-[(2S)-2-[(1-methyl-2-oxo-4-pyridinyl)carbamoyl]azetidin-1-yl]sulfonyl-2H-indazole-5-carboxamide
CID 164573776
2-[(4-fluoro-5-methyl-1H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573807
3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide
CID 164573859
2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 167168311
US20240132480, Example 36
CID 171395587
2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573466

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573683) is 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is CN(CC(=O)Nc1ccn(C)c(=O)c1)Sc1cc(C=O)cc2c(F)[nH]nc12.
What is the InChIKey of 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is ZVDXKFJWEZJNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S/c1-22-4-3-11(7-15(22)26)19-14(25)8-23(2)27-13-6-10(9-24)5-12-16(13)20-21-17(12)18/h3-7,9H,8H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 389.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).