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

C16H16FN5O4S — CID 171395535

IUPAC2-[(5-fluoro-1H-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(F)cc2cn[nH]c12
InChIInChI=1S/C16H16FN5O4S/c1-21-4-3-12(7-15(21)24)19-14(23)9-22(2)27(25,26)13-6-11(17)5-10-8-18-20-16(10)13/h3-8H,9H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyWIXPZXARGNNUHR-UHFFFAOYSA-N
MW393.40 g/mol
LogP0.66
Rot. Bonds5

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

2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 171395535) has the molecular formula C16H16FN5O4S and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID171395535
Molecular FormulaC16H16FN5O4S
Molecular Weight393.40 g/mol
Exact Mass393.09
IUPAC Name2-[(5-fluoro-1H-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(F)cc2cn[nH]c12
InChIInChI=1S/C16H16FN5O4S/c1-21-4-3-12(7-15(21)24)19-14(23)9-22(2)27(25,26)13-6-11(17)5-10-8-18-20-16(10)13/h3-8H,9H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyWIXPZXARGNNUHR-UHFFFAOYSA-N
XLogP0.66
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
CID 155387744
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-indazol-5-yl)acetamide
CID 56835059
US20240132480, Example 43
CID 164573492
US20240132480, Example 152
CID 164573518
US20240132480, Example 151
CID 164573746
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-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(1-methyl-2-oxo-4-pyridyl)acetamide
CID 171395588
US20240132480, Example 148
CID 171442839
US20240132480, Example 150
CID 171902353
N-(3-fluoro-4-morpholino-phenyl)-2-[methyl-[(5-methyl-2H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171395441
2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573449

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 171395535) is 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-fluoro-1H-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(F)cc2cn[nH]c12.
What is the InChIKey of 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is WIXPZXARGNNUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O4S/c1-21-4-3-12(7-15(21)24)19-14(23)9-22(2)27(25,26)13-6-11(17)5-10-8-18-20-16(10)13/h3-8H,9H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 171395535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).