N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide

C23H23FN4O3S — CID 126600960

IUPACN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1cnn2Cc1ccc(F)cc1
InChIInChI=1S/C23H23FN4O3S/c1-4-32(30,31)26-21-10-17(18-9-15(2)23(29)27(3)14-18)11-22-20(21)12-25-28(22)13-16-5-7-19(24)8-6-16/h5-12,14,26H,4,13H2,1-3H3
InChIKeyUPRXDQXRQLZTBQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.66
Rot. Bonds6

About N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide

N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide (PubChem CID 126600960) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide
PubChem CID126600960
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1cnn2Cc1ccc(F)cc1
InChIInChI=1S/C23H23FN4O3S/c1-4-32(30,31)26-21-10-17(18-9-15(2)23(29)27(3)14-18)11-22-20(21)12-25-28(22)13-16-5-7-19(24)8-6-16/h5-12,14,26H,4,13H2,1-3H3
InChIKeyUPRXDQXRQLZTBQ-UHFFFAOYSA-N
XLogP3.66
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide (CID 126600960) is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1cnn2Cc1ccc(F)cc1.
What is the InChIKey of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
The InChIKey is UPRXDQXRQLZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-4-32(30,31)26-21-10-17(18-9-15(2)23(29)27(3)14-18)11-22-20(21)12-25-28(22)13-16-5-7-19(24)8-6-16/h5-12,14,26H,4,13H2,1-3H3.
What are the key properties of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide has a molecular weight of 454.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 126600960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).