N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole

C74H84Cl4F3N17O7S — CID 159064848

IUPACN-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N(C)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CCC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H14ClN3O.C15H19ClN4O.C15H18ClN3O.C14H17ClN4O.C14H16F3N3O3S/c1-10(21)20(2)13-5-3-11(4-6-13)14-7-12(17)8-16-15(14)9-18-19-16;1-10(21)19(2)12-3-5-20(6-4-12)15-8-11(16)7-14-13(15)9-17-18-14;1-2-15(20)10-3-5-19(6-4-10)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)17-11-2-4-19(5-3-11)14-7-10(15)6-13-12(14)8-16-18-13;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h3-9H,1-2H3,(H,18,19);7-9,12H,3-6H2,1-2H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18);6-8,11H,2-5H2,1H3,(H,16,18)(H,17,20);6-9H,2-5H2,1H3,(H,18,19)
InChIKeyJYXQPEYSYOWAPT-UHFFFAOYSA-N
MW1554.47 g/mol
LogP14.86
Rot. Bonds12

About N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole

N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole (PubChem CID 159064848) has the molecular formula C74H84Cl4F3N17O7S and a molecular weight of 1554.47 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound NameN-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole
PubChem CID159064848
Molecular FormulaC74H84Cl4F3N17O7S
Molecular Weight1554.47 g/mol
Exact Mass1551.52
IUPAC NameN-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N(C)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CCC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H14ClN3O.C15H19ClN4O.C15H18ClN3O.C14H17ClN4O.C14H16F3N3O3S/c1-10(21)20(2)13-5-3-11(4-6-13)14-7-12(17)8-16-15(14)9-18-19-16;1-10(21)19(2)12-3-5-20(6-4-12)15-8-11(16)7-14-13(15)9-17-18-14;1-2-15(20)10-3-5-19(6-4-10)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)17-11-2-4-19(5-3-11)14-7-10(15)6-13-12(14)8-16-18-13;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h3-9H,1-2H3,(H,18,19);7-9,12H,3-6H2,1-2H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18);6-8,11H,2-5H2,1H3,(H,16,18)(H,17,20);6-9H,2-5H2,1H3,(H,18,19)
InChIKeyJYXQPEYSYOWAPT-UHFFFAOYSA-N
XLogP14.86
TPSA286.52 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms106
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001554.47
LogP ≤ 514.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
The IUPAC name of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole (CID 159064848) is N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole is CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N(C)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CCC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.
What is the InChIKey of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
The InChIKey is JYXQPEYSYOWAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.C15H19ClN4O.C15H18ClN3O.C14H17ClN4O.C14H16F3N3O3S/c1-10(21)20(2)13-5-3-11(4-6-13)14-7-12(17)8-16-15(14)9-18-19-16;1-10(21)19(2)12-3-5-20(6-4-12)15-8-11(16)7-14-13(15)9-17-18-14;1-2-15(20)10-3-5-19(6-4-10)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)17-11-2-4-19(5-3-11)14-7-10(15)6-13-12(14)8-16-18-13;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h3-9H,1-2H3,(H,18,19);7-9,12H,3-6H2,1-2H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18);6-8,11H,2-5H2,1H3,(H,16,18)(H,17,20);6-9H,2-5H2,1H3,(H,18,19).
What are the key properties of N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole has a molecular weight of 1554.47 g/mol, XLogP of 14.86, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 159064848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).