1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide

C26H24FN3O3S — CID 162678373

IUPAC1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H24FN3O3S/c1-17-4-3-5-18(14-17)24-22-11-6-19(25(31)28-26(2)12-13-34(32,33)16-26)15-23(22)30(29-24)21-9-7-20(27)8-10-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)/t26-/m1/s1
InChIKeyBOWJXWVGECXFGZ-AREMUKBSSA-N
MW477.56 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide

1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide (PubChem CID 162678373) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide
PubChem CID162678373
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC Name1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H24FN3O3S/c1-17-4-3-5-18(14-17)24-22-11-6-19(25(31)28-26(2)12-13-34(32,33)16-26)15-23(22)30(29-24)21-9-7-20(27)8-10-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)/t26-/m1/s1
InChIKeyBOWJXWVGECXFGZ-AREMUKBSSA-N
XLogP4.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide (CID 162678373) is 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide is Cc1cccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide?
The InChIKey is BOWJXWVGECXFGZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-17-4-3-5-18(14-17)24-22-11-6-19(25(31)28-26(2)12-13-34(32,33)16-26)15-23(22)30(29-24)21-9-7-20(27)8-10-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)/t26-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide?
1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)indazole-6-carboxamide is sourced from PubChem (CID 162678373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).