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

C25H20F3N3O4S — CID 162678356

IUPAC3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccc(OC(F)F)c3)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H20F3N3O4S/c26-17-5-7-19(8-6-17)31-22-13-16(24(32)29-18-10-11-36(33,34)14-18)4-9-21(22)23(30-31)15-2-1-3-20(12-15)35-25(27)28/h1-9,12-13,18,25H,10-11,14H2,(H,29,32)/t18-/m1/s1
InChIKeyKBZAOZKBBKIYEP-GOSISDBHSA-N
MW515.51 g/mol
LogP4.35
Rot. Bonds6

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

3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 162678356) has the molecular formula C25H20F3N3O4S and a molecular weight of 515.51 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID162678356
Molecular FormulaC25H20F3N3O4S
Molecular Weight515.51 g/mol
Exact Mass515.11
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccc(OC(F)F)c3)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H20F3N3O4S/c26-17-5-7-19(8-6-17)31-22-13-16(24(32)29-18-10-11-36(33,34)14-18)4-9-21(22)23(30-31)15-2-1-3-20(12-15)35-25(27)28/h1-9,12-13,18,25H,10-11,14H2,(H,29,32)/t18-/m1/s1
InChIKeyKBZAOZKBBKIYEP-GOSISDBHSA-N
XLogP4.35
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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
US10947222, Example 42
CID 134522011
US10947222, Example 57
CID 134523905
US10947222, Example 33
CID 134534339
US10947222, Example 39
CID 134534477
US10947222, Example 29
CID 134534512
US10947222, Example 58
CID 139465033
US11787810, Example 34
CID 162359104
US11787810, Example 84
CID 162359179

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (CID 162678356) is 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccc(OC(F)F)c3)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is KBZAOZKBBKIYEP-GOSISDBHSA-N. The full InChI is InChI=1S/C25H20F3N3O4S/c26-17-5-7-19(8-6-17)31-22-13-16(24(32)29-18-10-11-36(33,34)14-18)4-9-21(22)23(30-31)15-2-1-3-20(12-15)35-25(27)28/h1-9,12-13,18,25H,10-11,14H2,(H,29,32)/t18-/m1/s1.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
3-[3-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 515.51 g/mol, XLogP of 4.35, 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]-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 162678356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).