1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide

C28H24FN5O4S — CID 134522812

IUPAC1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide
SMILESCc1nnc(-c2cccc(-c3nn(-c4ccc(F)cc4)c4cc(C(=O)NC5(C)CCS(=O)(=O)C5)ccc34)c2)o1
InChIInChI=1S/C28H24FN5O4S/c1-17-31-32-27(38-17)20-5-3-4-18(14-20)25-23-11-6-19(26(35)30-28(2)12-13-39(36,37)16-28)15-24(23)34(33-25)22-9-7-21(29)8-10-22/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,35)
InChIKeyALSYRVXWMKUHBU-UHFFFAOYSA-N
MW545.60 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide

1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide (PubChem CID 134522812) has the molecular formula C28H24FN5O4S and a molecular weight of 545.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide
PubChem CID134522812
Molecular FormulaC28H24FN5O4S
Molecular Weight545.60 g/mol
Exact Mass545.15
IUPAC Name1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide
SMILESCc1nnc(-c2cccc(-c3nn(-c4ccc(F)cc4)c4cc(C(=O)NC5(C)CCS(=O)(=O)C5)ccc34)c2)o1
InChIInChI=1S/C28H24FN5O4S/c1-17-31-32-27(38-17)20-5-3-4-18(14-20)25-23-11-6-19(26(35)30-28(2)12-13-39(36,37)16-28)15-24(23)34(33-25)22-9-7-21(29)8-10-22/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,35)
InChIKeyALSYRVXWMKUHBU-UHFFFAOYSA-N
XLogP4.50
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide (CID 134522812) is 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide is Cc1nnc(-c2cccc(-c3nn(-c4ccc(F)cc4)c4cc(C(=O)NC5(C)CCS(=O)(=O)C5)ccc34)c2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide?
The InChIKey is ALSYRVXWMKUHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O4S/c1-17-31-32-27(38-17)20-5-3-4-18(14-20)25-23-11-6-19(26(35)30-28(2)12-13-39(36,37)16-28)15-24(23)34(33-25)22-9-7-21(29)8-10-22/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,35).
What are the key properties of 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide?
1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide has a molecular weight of 545.60 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]indazole-6-carboxamide is sourced from PubChem (CID 134522812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).