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

C20H23F3N4O3S — CID 122633698

IUPACN-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCCCCn1nc(C(F)(F)F)c2c(NS(C)(=O)=O)cc(-c3cc(C)c(=O)n(C)c3)cc21
InChIInChI=1S/C20H23F3N4O3S/c1-5-6-7-27-16-10-13(14-8-12(2)19(28)26(3)11-14)9-15(25-31(4,29)30)17(16)18(24-27)20(21,22)23/h8-11,25H,5-7H2,1-4H3
InChIKeyMOLJEPQWYRRFOF-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.90
Rot. Bonds6

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

N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (PubChem CID 122633698) has the molecular formula C20H23F3N4O3S and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
PubChem CID122633698
Molecular FormulaC20H23F3N4O3S
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC NameN-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCCCCn1nc(C(F)(F)F)c2c(NS(C)(=O)=O)cc(-c3cc(C)c(=O)n(C)c3)cc21
InChIInChI=1S/C20H23F3N4O3S/c1-5-6-7-27-16-10-13(14-8-12(2)19(28)26(3)11-14)9-15(25-31(4,29)30)17(16)18(24-27)20(21,22)23/h8-11,25H,5-7H2,1-4H3
InChIKeyMOLJEPQWYRRFOF-UHFFFAOYSA-N
XLogP3.90
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
CID 155522007
1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
CID 155536189
US10807982, Example 105
CID 122623500
US10807982, Example 106
CID 122623562
US10807982, Example 64
CID 122623582
US10807982, Example 104
CID 122623612
US10807982, Example 66
CID 122623696
US10807982, Example 65
CID 122623726
US10807982, Example 43
CID 126600960
US10807982, Example 42
CID 122623746
5-[4-Amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one
CID 122623577
N-[1-benzyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
CID 122633696

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (CID 122633698) is N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is CCCCn1nc(C(F)(F)F)c2c(NS(C)(=O)=O)cc(-c3cc(C)c(=O)n(C)c3)cc21.
What is the InChIKey of N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The InChIKey is MOLJEPQWYRRFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3S/c1-5-6-7-27-16-10-13(14-8-12(2)19(28)26(3)11-14)9-15(25-31(4,29)30)17(16)18(24-27)20(21,22)23/h8-11,25H,5-7H2,1-4H3.
What are the key properties of N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide has a molecular weight of 456.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 122633698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).