1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide

C28H24FN5O3S — CID 134522633

IUPAC1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(-c4cccc(-n5cccn5)c4)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C28H24FN5O3S/c1-28(12-15-38(36,37)18-28)31-27(35)20-6-11-24-25(17-20)34(22-9-7-21(29)8-10-22)32-26(24)19-4-2-5-23(16-19)33-14-3-13-30-33/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,31,35)
InChIKeyBCRRNAFRJZTCOS-UHFFFAOYSA-N
MW529.60 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide

1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide (PubChem CID 134522633) has the molecular formula C28H24FN5O3S and a molecular weight of 529.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide
PubChem CID134522633
Molecular FormulaC28H24FN5O3S
Molecular Weight529.60 g/mol
Exact Mass529.16
IUPAC Name1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(-c4cccc(-n5cccn5)c4)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C28H24FN5O3S/c1-28(12-15-38(36,37)18-28)31-27(35)20-6-11-24-25(17-20)34(22-9-7-21(29)8-10-22)32-26(24)19-4-2-5-23(16-19)33-14-3-13-30-33/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,31,35)
InChIKeyBCRRNAFRJZTCOS-UHFFFAOYSA-N
XLogP4.32
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)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-pyrazol-1-ylphenyl)indazole-6-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide (CID 134522633) is 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide is CC1(NC(=O)c2ccc3c(-c4cccc(-n5cccn5)c4)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide?
The InChIKey is BCRRNAFRJZTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O3S/c1-28(12-15-38(36,37)18-28)31-27(35)20-6-11-24-25(17-20)34(22-9-7-21(29)8-10-22)32-26(24)19-4-2-5-23(16-19)33-14-3-13-30-33/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,31,35).
What are the key properties of 1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide?
1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(3-pyrazol-1-ylphenyl)indazole-6-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrazol-1-ylphenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).