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

C23H21F3N4O3S — CID 122633696

IUPACN-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H21F3N4O3S/c1-14-9-17(13-29(2)22(14)31)16-10-18(28-34(3,32)33)20-19(11-16)30(27-21(20)23(24,25)26)12-15-7-5-4-6-8-15/h4-11,13,28H,12H2,1-3H3
InChIKeyZVEPRQCNZMUQQH-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.15
Rot. Bonds5

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

N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (PubChem CID 122633696) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
PubChem CID122633696
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC NameN-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H21F3N4O3S/c1-14-9-17(13-29(2)22(14)31)16-10-18(28-34(3,32)33)20-19(11-16)30(27-21(20)23(24,25)26)12-15-7-5-4-6-8-15/h4-11,13,28H,12H2,1-3H3
InChIKeyZVEPRQCNZMUQQH-UHFFFAOYSA-N
XLogP4.15
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[1-[(3,4-Difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155534784
N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
CID 155520010
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
3-(Ethylamino)-5-[1-[(4-fluorophenyl)methyl]indazol-6-yl]-1-methylpyridin-2-one
CID 155534471
1-Methyl-3-(methylamino)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-6-yl]pyridin-2-one
CID 155563724
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

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (CID 122633696) is N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccccc4)c3c2)cn(C)c1=O.
What is the InChIKey of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The InChIKey is ZVEPRQCNZMUQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c1-14-9-17(13-29(2)22(14)31)16-10-18(28-34(3,32)33)20-19(11-16)30(27-21(20)23(24,25)26)12-15-7-5-4-6-8-15/h4-11,13,28H,12H2,1-3H3.
What are the key properties of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide has a molecular weight of 490.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 122633696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).