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

C17H15BrFN5O4S — CID 174229752

IUPAC1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
SMILESCn1ccc(NC(=O)C2CCN2S(=O)(=O)c2cc(Br)cc3c(F)[nH]nc23)cc1=O
InChIInChI=1S/C17H15BrFN5O4S/c1-23-4-2-10(8-14(23)25)20-17(26)12-3-5-24(12)29(27,28)13-7-9(18)6-11-15(13)21-22-16(11)19/h2,4,6-8,12H,3,5H2,1H3,(H,20,26)(H,21,22)
InChIKeyHFKDWWLLOUPPTK-UHFFFAOYSA-N
MW484.31 g/mol
LogP1.56
Rot. Bonds4

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

1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide (PubChem CID 174229752) has the molecular formula C17H15BrFN5O4S and a molecular weight of 484.31 g/mol. Its IUPAC name is 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
PubChem CID174229752
Molecular FormulaC17H15BrFN5O4S
Molecular Weight484.31 g/mol
Exact Mass483.00
IUPAC Name1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
SMILESCn1ccc(NC(=O)C2CCN2S(=O)(=O)c2cc(Br)cc3c(F)[nH]nc23)cc1=O
InChIInChI=1S/C17H15BrFN5O4S/c1-23-4-2-10(8-14(23)25)20-17(26)12-3-5-24(12)29(27,28)13-7-9(18)6-11-15(13)21-22-16(11)19/h2,4,6-8,12H,3,5H2,1H3,(H,20,26)(H,21,22)
InChIKeyHFKDWWLLOUPPTK-UHFFFAOYSA-N
XLogP1.56
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
The IUPAC name of 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide (CID 174229752) is 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide.
What is the SMILES notation for 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
The canonical SMILES for 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide is Cn1ccc(NC(=O)C2CCN2S(=O)(=O)c2cc(Br)cc3c(F)[nH]nc23)cc1=O.
What is the InChIKey of 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
The InChIKey is HFKDWWLLOUPPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5O4S/c1-23-4-2-10(8-14(23)25)20-17(26)12-3-5-24(12)29(27,28)13-7-9(18)6-11-15(13)21-22-16(11)19/h2,4,6-8,12H,3,5H2,1H3,(H,20,26)(H,21,22).
What are the key properties of 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide has a molecular weight of 484.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-fluoro-2H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide is sourced from PubChem (CID 174229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).