5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

C69H73Cl4F3N18O8S2 — CID 161059229

IUPAC5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN(C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CNc1ccc(-c2cc(Cl)cc3[nH]ncc23)cn1.COC(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H11ClN2O2.C14H19ClN4O2S.C14H15F3N4O2.C13H17ClN4O2S.C13H11ClN4/c1-20-15(19)10-4-2-9(3-5-10)12-6-11(16)7-14-13(12)8-17-18-14;1-18(22(2,20)21)11-4-3-5-19(9-11)14-7-10(15)6-13-12(14)8-16-17-13;1-9(22)20-2-4-21(5-3-20)13-7-10(23-14(15,16)17)6-12-11(13)8-18-19-12;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12;1-15-13-3-2-8(6-16-13)10-4-9(14)5-12-11(10)7-17-18-12/h2-8H,1H3,(H,17,18);6-8,11H,3-5,9H2,1-2H3,(H,16,17);6-8H,2-5H2,1H3,(H,18,19);5-7,10H,3-4,8H2,1-2H3,(H,15,16);2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyUDEDJQJIBSFEBS-UHFFFAOYSA-N
MW1545.40 g/mol
LogP12.88
Rot. Bonds12

About 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (PubChem CID 161059229) has the molecular formula C69H73Cl4F3N18O8S2 and a molecular weight of 1545.40 g/mol. Its IUPAC name is 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
PubChem CID161059229
Molecular FormulaC69H73Cl4F3N18O8S2
Molecular Weight1545.40 g/mol
Exact Mass1542.40
IUPAC Name5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN(C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CNc1ccc(-c2cc(Cl)cc3[nH]ncc23)cn1.COC(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H11ClN2O2.C14H19ClN4O2S.C14H15F3N4O2.C13H17ClN4O2S.C13H11ClN4/c1-20-15(19)10-4-2-9(3-5-10)12-6-11(16)7-14-13(12)8-17-18-14;1-18(22(2,20)21)11-4-3-5-19(9-11)14-7-10(15)6-13-12(14)8-16-17-13;1-9(22)20-2-4-21(5-3-20)13-7-10(23-14(15,16)17)6-12-11(13)8-18-19-12;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12;1-15-13-3-2-8(6-16-13)10-4-9(14)5-12-11(10)7-17-18-12/h2-8H,1H3,(H,17,18);6-8,11H,3-5,9H2,1-2H3,(H,16,17);6-8H,2-5H2,1H3,(H,18,19);5-7,10H,3-4,8H2,1-2H3,(H,15,16);2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyUDEDJQJIBSFEBS-UHFFFAOYSA-N
XLogP12.88
TPSA308.64 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms104
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001545.40
LogP ≤ 512.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (CID 161059229) is 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN(C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CNc1ccc(-c2cc(Cl)cc3[nH]ncc23)cn1.COC(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.
What is the InChIKey of 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The InChIKey is UDEDJQJIBSFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2.C14H19ClN4O2S.C14H15F3N4O2.C13H17ClN4O2S.C13H11ClN4/c1-20-15(19)10-4-2-9(3-5-10)12-6-11(16)7-14-13(12)8-17-18-14;1-18(22(2,20)21)11-4-3-5-19(9-11)14-7-10(15)6-13-12(14)8-16-17-13;1-9(22)20-2-4-21(5-3-20)13-7-10(23-14(15,16)17)6-12-11(13)8-18-19-12;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12;1-15-13-3-2-8(6-16-13)10-4-9(14)5-12-11(10)7-17-18-12/h2-8H,1H3,(H,17,18);6-8,11H,3-5,9H2,1-2H3,(H,16,17);6-8H,2-5H2,1H3,(H,18,19);5-7,10H,3-4,8H2,1-2H3,(H,15,16);2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1545.40 g/mol, XLogP of 12.88, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1H-indazol-4-yl)-N-methylpyridin-2-amine;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]-N-methylmethanesulfonamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;methyl 4-(6-chloro-1H-indazol-4-yl)benzoate;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 161059229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).