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

C24H20ClFN4O3S — CID 134522482

IUPACN-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESN[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H20ClFN4O3S/c25-19-4-2-1-3-17(19)23-18-10-5-14(24(31)28-21-13-34(32,33)12-20(21)27)11-22(18)30(29-23)16-8-6-15(26)7-9-16/h1-11,20-21H,12-13,27H2,(H,28,31)/t20-,21-/m0/s1
InChIKeyDBVJRFGARBBDQU-SFTDATJTSA-N
MW498.97 g/mol
LogP3.34
Rot. Bonds4

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

N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522482) has the molecular formula C24H20ClFN4O3S and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522482
Molecular FormulaC24H20ClFN4O3S
Molecular Weight498.97 g/mol
Exact Mass498.09
IUPAC NameN-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESN[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H20ClFN4O3S/c25-19-4-2-1-3-17(19)23-18-10-5-14(24(31)28-21-13-34(32,33)12-20(21)27)11-22(18)30(29-23)16-8-6-15(26)7-9-16/h1-11,20-21H,12-13,27H2,(H,28,31)/t20-,21-/m0/s1
InChIKeyDBVJRFGARBBDQU-SFTDATJTSA-N
XLogP3.34
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide with MolForge

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Related Compounds

1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-N-cyclopropylsulfonylindazole-3,6-dicarboxamide
CID 118322352
1-(2-((2S,4R)-2-((2'-Chloro-2,4',5'-trifluoro-[1,1'-biphenyl]-3-yl)carbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-1H-indazole-3-carboxamide
CID 118323401
6-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3,6-dicarboxamide
CID 130299712
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299975
US10947222, Example 1
CID 134521913
US10947222, Example 47
CID 134521957
US11104690, Example 40
CID 134522042
US11104690, Example 86
CID 134522043
US11104690, Example 89
CID 134522045
US11104690, Example 60
CID 134522051
US11104690, Example 21
CID 134522059
US11104690, Example 117
CID 134522073

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522482) is N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide is N[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is DBVJRFGARBBDQU-SFTDATJTSA-N. The full InChI is InChI=1S/C24H20ClFN4O3S/c25-19-4-2-1-3-17(19)23-18-10-5-14(24(31)28-21-13-34(32,33)12-20(21)27)11-22(18)30(29-23)16-8-6-15(26)7-9-16/h1-11,20-21H,12-13,27H2,(H,28,31)/t20-,21-/m0/s1.
What are the key properties of N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 498.97 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).