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

C17H16FN5O5S — CID 167168311

IUPAC2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)S(=O)(=O)c1cc(C=O)cc2c(F)[nH]nc12
InChIInChI=1S/C17H16FN5O5S/c1-22-4-3-11(7-15(22)26)19-14(25)8-23(2)29(27,28)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)
InChIKeyLCBCBOGFIYGQNW-UHFFFAOYSA-N
MW421.41 g/mol
LogP0.47
Rot. Bonds6

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

2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 167168311) has the molecular formula C17H16FN5O5S and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID167168311
Molecular FormulaC17H16FN5O5S
Molecular Weight421.41 g/mol
Exact Mass421.09
IUPAC Name2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1ccn(C)c(=O)c1)S(=O)(=O)c1cc(C=O)cc2c(F)[nH]nc12
InChIInChI=1S/C17H16FN5O5S/c1-22-4-3-11(7-15(22)26)19-14(25)8-23(2)29(27,28)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)
InChIKeyLCBCBOGFIYGQNW-UHFFFAOYSA-N
XLogP0.47
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 167168311) is 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is CN(CC(=O)Nc1ccn(C)c(=O)c1)S(=O)(=O)c1cc(C=O)cc2c(F)[nH]nc12.
What is the InChIKey of 2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is LCBCBOGFIYGQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O5S/c1-22-4-3-11(7-15(22)26)19-14(25)8-23(2)29(27,28)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)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 421.41 g/mol, XLogP of 0.47, 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)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 167168311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).