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

C23H20F4N4O3S — CID 122633699

IUPACN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H20F4N4O3S/c1-13-8-16(12-30(2)22(13)32)15-9-18(29-35(3,33)34)20-19(10-15)31(28-21(20)23(25,26)27)11-14-4-6-17(24)7-5-14/h4-10,12,29H,11H2,1-3H3
InChIKeyDBBQJJHPMYFIMB-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.29
Rot. Bonds5

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

N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (PubChem CID 122633699) has the molecular formula C23H20F4N4O3S and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
PubChem CID122633699
Molecular FormulaC23H20F4N4O3S
Molecular Weight508.50 g/mol
Exact Mass508.12
IUPAC NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H20F4N4O3S/c1-13-8-16(12-30(2)22(13)32)15-9-18(29-35(3,33)34)20-19(10-15)31(28-21(20)23(25,26)27)11-14-4-6-17(24)7-5-14/h4-10,12,29H,11H2,1-3H3
InChIKeyDBBQJJHPMYFIMB-UHFFFAOYSA-N
XLogP4.29
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (CID 122633699) is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O.
What is the InChIKey of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The InChIKey is DBBQJJHPMYFIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O3S/c1-13-8-16(12-30(2)22(13)32)15-9-18(29-35(3,33)34)20-19(10-15)31(28-21(20)23(25,26)27)11-14-4-6-17(24)7-5-14/h4-10,12,29H,11H2,1-3H3.
What are the key properties of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide has a molecular weight of 508.50 g/mol, XLogP of 4.29, 5 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]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 122633699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).