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

C59H72Cl3F3N14O7S2 — CID 157405105

IUPACN-[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
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)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.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ccc13)CC2
InChIInChI=1S/C17H20ClN3O.C15H16F3N3O2.C14H19ClN4O2S.C13H17ClN4O2S/c1-20-16(22)2-4-17(20)5-8-21(9-6-17)15-11-12(18)10-14-13(15)3-7-19-14;1-10(22)20-4-6-21(7-5-20)14-9-11(23-15(16,17)18)8-13-12(14)2-3-19-13;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;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12/h3,7,10-11,19H,2,4-6,8-9H2,1H3;2-3,8-9,19H,4-7H2,1H3;6-8,11H,3-5,9H2,1-2H3,(H,16,17);5-7,10H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyBNPZADUITYJHFW-UHFFFAOYSA-N
MW1316.80 g/mol
LogP9.91
Rot. Bonds9

About 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

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 (PubChem CID 157405105) has the molecular formula C59H72Cl3F3N14O7S2 and a molecular weight of 1316.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157405105
Molecular FormulaC59H72Cl3F3N14O7S2
Molecular Weight1316.80 g/mol
Exact Mass1314.42
IUPAC NameN-[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
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)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.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ccc13)CC2
InChIInChI=1S/C17H20ClN3O.C15H16F3N3O2.C14H19ClN4O2S.C13H17ClN4O2S/c1-20-16(22)2-4-17(20)5-8-21(9-6-17)15-11-12(18)10-14-13(15)3-7-19-14;1-10(22)20-4-6-21(7-5-20)14-9-11(23-15(16,17)18)8-13-12(14)2-3-19-13;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;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12/h3,7,10-11,19H,2,4-6,8-9H2,1H3;2-3,8-9,19H,4-7H2,1H3;6-8,11H,3-5,9H2,1-2H3,(H,16,17);5-7,10H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyBNPZADUITYJHFW-UHFFFAOYSA-N
XLogP9.91
TPSA226.51 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms88
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.80
LogP ≤ 59.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)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.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ccc13)CC2.
What is the InChIKey of 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?
The InChIKey is BNPZADUITYJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O.C15H16F3N3O2.C14H19ClN4O2S.C13H17ClN4O2S/c1-20-16(22)2-4-17(20)5-8-21(9-6-17)15-11-12(18)10-14-13(15)3-7-19-14;1-10(22)20-4-6-21(7-5-20)14-9-11(23-15(16,17)18)8-13-12(14)2-3-19-13;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;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12/h3,7,10-11,19H,2,4-6,8-9H2,1H3;2-3,8-9,19H,4-7H2,1H3;6-8,11H,3-5,9H2,1-2H3,(H,16,17);5-7,10H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 1316.80 g/mol, XLogP of 9.91, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157405105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).