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

C16H15BrFN5O4S — CID 164573796

IUPAC2-[(5-bromo-3-fluoro-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(Br)cc2c(F)[nH]nc12
InChIInChI=1S/C16H15BrFN5O4S/c1-22-4-3-10(7-14(22)25)19-13(24)8-23(2)28(26,27)12-6-9(17)5-11-15(12)20-21-16(11)18/h3-7H,8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeySCPFCASDJHGZAS-UHFFFAOYSA-N
MW472.30 g/mol
LogP1.42
Rot. Bonds5

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

2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573796) has the molecular formula C16H15BrFN5O4S and a molecular weight of 472.30 g/mol. Its IUPAC name is 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573796
Molecular FormulaC16H15BrFN5O4S
Molecular Weight472.30 g/mol
Exact Mass471.00
IUPAC Name2-[(5-bromo-3-fluoro-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(Br)cc2c(F)[nH]nc12
InChIInChI=1S/C16H15BrFN5O4S/c1-22-4-3-10(7-14(22)25)19-13(24)8-23(2)28(26,27)12-6-9(17)5-11-15(12)20-21-16(11)18/h3-7H,8H2,1-2H3,(H,19,24)(H,20,21)
InChIKeySCPFCASDJHGZAS-UHFFFAOYSA-N
XLogP1.42
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573796) is 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-bromo-3-fluoro-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(Br)cc2c(F)[nH]nc12.
What is the InChIKey of 2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is SCPFCASDJHGZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O4S/c1-22-4-3-10(7-14(22)25)19-13(24)8-23(2)28(26,27)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)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 472.30 g/mol, XLogP of 1.42, 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)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).