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

C26H24FN3O4S — CID 162678363

IUPAC1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H24FN3O4S/c1-26(12-13-35(32,33)16-26)28-25(31)18-6-11-22-23(15-18)30(20-9-7-19(27)8-10-20)29-24(22)17-4-3-5-21(14-17)34-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)/t26-/m1/s1
InChIKeyRNDYKEZVDBZRTQ-AREMUKBSSA-N
MW493.56 g/mol
LogP4.15
Rot. Bonds5

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

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (PubChem CID 162678363) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
PubChem CID162678363
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C26H24FN3O4S/c1-26(12-13-35(32,33)16-26)28-25(31)18-6-11-22-23(15-18)30(20-9-7-19(27)8-10-20)29-24(22)17-4-3-5-21(14-17)34-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)/t26-/m1/s1
InChIKeyRNDYKEZVDBZRTQ-AREMUKBSSA-N
XLogP4.15
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (CID 162678363) is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is COc1cccc(-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)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The InChIKey is RNDYKEZVDBZRTQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c1-26(12-13-35(32,33)16-26)28-25(31)18-6-11-22-23(15-18)30(20-9-7-19(27)8-10-20)29-24(22)17-4-3-5-21(14-17)34-2/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)/t26-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide has a molecular weight of 493.56 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 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is sourced from PubChem (CID 162678363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).