3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide

C25H20ClFN4O4S — CID 162678342

IUPAC3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESNC(=O)c1ccc(Cl)c(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C25H20ClFN4O4S/c26-21-8-2-14(24(28)32)11-20(21)23-19-7-1-15(25(33)29-17-9-10-36(34,35)13-17)12-22(19)31(30-23)18-5-3-16(27)4-6-18/h1-8,11-12,17H,9-10,13H2,(H2,28,32)(H,29,33)/t17-/m1/s1
InChIKeySUBFAADUQYFJHG-QGZVFWFLSA-N
MW526.98 g/mol
LogP3.50
Rot. Bonds5

About 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide

3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 162678342) has the molecular formula C25H20ClFN4O4S and a molecular weight of 526.98 g/mol. Its IUPAC name is 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID162678342
Molecular FormulaC25H20ClFN4O4S
Molecular Weight526.98 g/mol
Exact Mass526.09
IUPAC Name3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESNC(=O)c1ccc(Cl)c(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc23)c1
InChIInChI=1S/C25H20ClFN4O4S/c26-21-8-2-14(24(28)32)11-20(21)23-19-7-1-15(25(33)29-17-9-10-36(34,35)13-17)12-22(19)31(30-23)18-5-3-16(27)4-6-18/h1-8,11-12,17H,9-10,13H2,(H2,28,32)(H,29,33)/t17-/m1/s1
InChIKeySUBFAADUQYFJHG-QGZVFWFLSA-N
XLogP3.50
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.98
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-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
US11104690, Example 89
CID 134522045
US11104690, Example 60
CID 134522051
US11104690, Example 117
CID 134522073
US11104690, Example 64
CID 134522116
US11104690, Example 52
CID 134522134
US11104690, Example 116
CID 134522149
US11104690, Example 90
CID 134522150
US10947222, Example 49
CID 134522178
US11104690, Example 54
CID 134522297
US11104690, Example 8
CID 134522482
US11104690, Example 104
CID 134522506

Frequently Asked Questions

What is the IUPAC name of 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (CID 162678342) is 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is NC(=O)c1ccc(Cl)c(-c2nn(-c3ccc(F)cc3)c3cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc23)c1.
What is the InChIKey of 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is SUBFAADUQYFJHG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H20ClFN4O4S/c26-21-8-2-14(24(28)32)11-20(21)23-19-7-1-15(25(33)29-17-9-10-36(34,35)13-17)12-22(19)31(30-23)18-5-3-16(27)4-6-18/h1-8,11-12,17H,9-10,13H2,(H2,28,32)(H,29,33)/t17-/m1/s1.
What are the key properties of 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 526.98 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-carbamoyl-2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 162678342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).