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

C23H20F4N4O4S — CID 122633697

IUPACN-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCOc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H20F4N4O4S/c1-30-12-15(10-19(35-2)22(30)32)14-8-17(29-36(3,33)34)20-18(9-14)31(28-21(20)23(25,26)27)11-13-4-6-16(24)7-5-13/h4-10,12,29H,11H2,1-3H3
InChIKeyMUWWLYUQUGARRA-UHFFFAOYSA-N
MW524.50 g/mol
LogP3.99
Rot. Bonds6

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

N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (PubChem CID 122633697) has the molecular formula C23H20F4N4O4S and a molecular weight of 524.50 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
PubChem CID122633697
Molecular FormulaC23H20F4N4O4S
Molecular Weight524.50 g/mol
Exact Mass524.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
SMILESCOc1cc(-c2cc(NS(C)(=O)=O)c3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C23H20F4N4O4S/c1-30-12-15(10-19(35-2)22(30)32)14-8-17(29-36(3,33)34)20-18(9-14)31(28-21(20)23(25,26)27)11-13-4-6-16(24)7-5-13/h4-10,12,29H,11H2,1-3H3
InChIKeyMUWWLYUQUGARRA-UHFFFAOYSA-N
XLogP3.99
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[1-butyl-6-(1,5-dimethyl-6-oxopyridin-3-yl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
CID 122633698
N-[6-(1,5-dimethyl-6-oxopyridin-3-yl)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide
CID 122633699

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide (CID 122633697) is N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is COc1cc(-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-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
The InChIKey is MUWWLYUQUGARRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O4S/c1-30-12-15(10-19(35-2)22(30)32)14-8-17(29-36(3,33)34)20-18(9-14)31(28-21(20)23(25,26)27)11-13-4-6-16(24)7-5-13/h4-10,12,29H,11H2,1-3H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide?
N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide has a molecular weight of 524.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 122633697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).