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

C26H22F3N3O4S — CID 162678362

IUPAC3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESC[C@@]1(NC(=O)c2ccc3c(-c4cccc(OC(F)F)c4)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C26H22F3N3O4S/c1-26(11-12-37(34,35)15-26)30-24(33)17-5-10-21-22(14-17)32(19-8-6-18(27)7-9-19)31-23(21)16-3-2-4-20(13-16)36-25(28)29/h2-10,13-14,25H,11-12,15H2,1H3,(H,30,33)/t26-/m1/s1
InChIKeyXVPLGPINRPQMLZ-AREMUKBSSA-N
MW529.54 g/mol
LogP4.74
Rot. Bonds6

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

3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (PubChem CID 162678362) has the molecular formula C26H22F3N3O4S and a molecular weight of 529.54 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
PubChem CID162678362
Molecular FormulaC26H22F3N3O4S
Molecular Weight529.54 g/mol
Exact Mass529.13
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESC[C@@]1(NC(=O)c2ccc3c(-c4cccc(OC(F)F)c4)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C26H22F3N3O4S/c1-26(11-12-37(34,35)15-26)30-24(33)17-5-10-21-22(14-17)32(19-8-6-18(27)7-9-19)31-23(21)16-3-2-4-20(13-16)36-25(28)29/h2-10,13-14,25H,11-12,15H2,1H3,(H,30,33)/t26-/m1/s1
InChIKeyXVPLGPINRPQMLZ-AREMUKBSSA-N
XLogP4.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]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

Related Compounds

3-[5-({(1R,2S)-2-[(2,2-difluoropropanoyl)amino]-1-phenylpropyl}oxy)-1H-indazol-1-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
CID 44544711
US10947222, Example 27-A
CID 156600963
US11787810, Example 33
CID 162359246
US10947222, Example 28
CID 134521917
US11104690, Example 150
CID 134522958
US10947222, Example 39
CID 134534477
US11787810, Example 34
CID 162359104
US11787810, Example 84
CID 162359179
US11787810, Example 5
CID 162359233
US11787810, Example 91
CID 162359316
US11104690, Example 128-A
CID 162678348
US11104690, Example 131-A
CID 162678351

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (CID 162678362) is 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is C[C@@]1(NC(=O)c2ccc3c(-c4cccc(OC(F)F)c4)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The InChIKey is XVPLGPINRPQMLZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22F3N3O4S/c1-26(11-12-37(34,35)15-26)30-24(33)17-5-10-21-22(14-17)32(19-8-6-18(27)7-9-19)31-23(21)16-3-2-4-20(13-16)36-25(28)29/h2-10,13-14,25H,11-12,15H2,1H3,(H,30,33)/t26-/m1/s1.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide has a molecular weight of 529.54 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is sourced from PubChem (CID 162678362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).