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

C23H22F2N4O3S — CID 122623500

IUPACN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1c(F)nn2Cc1ccc(F)cc1
InChIInChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-19-10-16(17-9-14(2)23(30)28(3)13-17)11-20-21(19)22(25)26-29(20)12-15-5-7-18(24)8-6-15/h5-11,13,27H,4,12H2,1-3H3
InChIKeyLCPICCSRZFYNOI-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.80
Rot. Bonds6

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

N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide (PubChem CID 122623500) has the molecular formula C23H22F2N4O3S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide
PubChem CID122623500
Molecular FormulaC23H22F2N4O3S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1c(F)nn2Cc1ccc(F)cc1
InChIInChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-19-10-16(17-9-14(2)23(30)28(3)13-17)11-20-21(19)22(25)26-29(20)12-15-5-7-18(24)8-6-15/h5-11,13,27H,4,12H2,1-3H3
InChIKeyLCPICCSRZFYNOI-UHFFFAOYSA-N
XLogP3.80
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.80
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)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide (CID 122623500) is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1c(F)nn2Cc1ccc(F)cc1.
What is the InChIKey of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
The InChIKey is LCPICCSRZFYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3S/c1-4-33(31,32)27-19-10-16(17-9-14(2)23(30)28(3)13-17)11-20-21(19)22(25)26-29(20)12-15-5-7-18(24)8-6-15/h5-11,13,27H,4,12H2,1-3H3.
What are the key properties of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide?
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide has a molecular weight of 472.52 g/mol, XLogP of 3.80, 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)-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 122623500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).