6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

C56H67Cl3F3N17O6S2 — CID 158027406

IUPAC6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;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.Clc1cc(N2CCC(c3ncc[nH]3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C15H16ClN5.C14H19ClN4O2S.C14H15F3N4O2.C13H17ClN4O2S/c16-11-7-13-12(9-19-20-13)14(8-11)21-5-1-10(2-6-21)15-17-3-4-18-15;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/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,19,20);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)
InChIKeyFGTNVWFKPZKCKQ-UHFFFAOYSA-N
MW1301.75 g/mol
LogP9.22
Rot. Bonds10

About 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (PubChem CID 158027406) has the molecular formula C56H67Cl3F3N17O6S2 and a molecular weight of 1301.75 g/mol. Its IUPAC name is 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
PubChem CID158027406
Molecular FormulaC56H67Cl3F3N17O6S2
Molecular Weight1301.75 g/mol
Exact Mass1299.39
IUPAC Name6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;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.Clc1cc(N2CCC(c3ncc[nH]3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C15H16ClN5.C14H19ClN4O2S.C14H15F3N4O2.C13H17ClN4O2S/c16-11-7-13-12(9-19-20-13)14(8-11)21-5-1-10(2-6-21)15-17-3-4-18-15;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/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,19,20);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)
InChIKeyFGTNVWFKPZKCKQ-UHFFFAOYSA-N
XLogP9.22
TPSA260.66 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.75
LogP ≤ 59.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

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;8-(6-chloro-1H-indol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 157405105
6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 159273133
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (CID 158027406) is 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;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.Clc1cc(N2CCC(c3ncc[nH]3)CC2)c2cn[nH]c2c1.
What is the InChIKey of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The InChIKey is FGTNVWFKPZKCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5.C14H19ClN4O2S.C14H15F3N4O2.C13H17ClN4O2S/c16-11-7-13-12(9-19-20-13)14(8-11)21-5-1-10(2-6-21)15-17-3-4-18-15;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/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,19,20);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).
What are the key properties of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1301.75 g/mol, XLogP of 9.22, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;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;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158027406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).