3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide

C24H18F3N3O3S — CID 162678352

IUPAC3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3c(F)cccc3F)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18F3N3O3S/c25-15-5-7-17(8-6-15)30-21-12-14(24(31)28-16-10-11-34(32,33)13-16)4-9-18(21)23(29-30)22-19(26)2-1-3-20(22)27/h1-9,12,16H,10-11,13H2,(H,28,31)/t16-/m1/s1
InChIKeyHMUQPLCRCHUSAD-MRXNPFEDSA-N
MW485.49 g/mol
LogP4.03
Rot. Bonds4

About 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide

3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 162678352) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID162678352
Molecular FormulaC24H18F3N3O3S
Molecular Weight485.49 g/mol
Exact Mass485.10
IUPAC Name3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3c(F)cccc3F)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18F3N3O3S/c25-15-5-7-17(8-6-15)30-21-12-14(24(31)28-16-10-11-34(32,33)13-16)4-9-18(21)23(29-30)22-19(26)2-1-3-20(22)27/h1-9,12,16H,10-11,13H2,(H,28,31)/t16-/m1/s1
InChIKeyHMUQPLCRCHUSAD-MRXNPFEDSA-N
XLogP4.03
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (CID 162678352) is 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3c(F)cccc3F)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is HMUQPLCRCHUSAD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c25-15-5-7-17(8-6-15)30-21-12-14(24(31)28-16-10-11-34(32,33)13-16)4-9-18(21)23(29-30)22-19(26)2-1-3-20(22)27/h1-9,12,16H,10-11,13H2,(H,28,31)/t16-/m1/s1.
What are the key properties of 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 162678352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).