8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

C72H79Cl3F6N18O9S2 — CID 159490406

IUPAC8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CC(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H19ClN4O.C15H12ClN3O.C14H15F3N4O2.C14H16F3N3O3S.C13H17ClN4O2S/c1-20-15(22)2-3-16(20)4-6-21(7-5-16)14-9-11(17)8-13-12(14)10-18-19-13;1-9(20)18-12-4-2-10(3-5-12)13-6-11(16)7-15-14(13)8-17-19-15;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;1-24(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;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12/h8-10H,2-7H2,1H3,(H,18,19);2-8H,1H3,(H,17,19)(H,18,20);6-8H,2-5H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,18,19);5-7,10H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyLYCSAOINIPJIIS-UHFFFAOYSA-N
MW1625.02 g/mol
LogP13.07
Rot. Bonds11

About 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (PubChem CID 159490406) has the molecular formula C72H79Cl3F6N18O9S2 and a molecular weight of 1625.02 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
PubChem CID159490406
Molecular FormulaC72H79Cl3F6N18O9S2
Molecular Weight1625.02 g/mol
Exact Mass1622.47
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CC(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1
InChIInChI=1S/C16H19ClN4O.C15H12ClN3O.C14H15F3N4O2.C14H16F3N3O3S.C13H17ClN4O2S/c1-20-15(22)2-3-16(20)4-6-21(7-5-16)14-9-11(17)8-13-12(14)10-18-19-13;1-9(20)18-12-4-2-10(3-5-12)13-6-11(16)7-15-14(13)8-17-19-15;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;1-24(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;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12/h8-10H,2-7H2,1H3,(H,18,19);2-8H,1H3,(H,17,19)(H,18,20);6-8H,2-5H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,18,19);5-7,10H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyLYCSAOINIPJIIS-UHFFFAOYSA-N
XLogP13.07
TPSA316.06 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001625.02
LogP ≤ 513.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
CID 157177267
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
8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
CID 157448915
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 157775402
N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indole
CID 157921757
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperidin-1-yl]ethanone
CID 158412075
4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158545799
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
4-(6-chloro-1H-indazol-4-yl)benzoic acid;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 159236237
5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole
CID 159449438
9-(6-chloro-1H-indazol-4-yl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperidin-1-yl]ethanone
CID 159829187
6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160147946

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (CID 159490406) is 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;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.CC(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
The InChIKey is LYCSAOINIPJIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.C15H12ClN3O.C14H15F3N4O2.C14H16F3N3O3S.C13H17ClN4O2S/c1-20-15(22)2-3-16(20)4-6-21(7-5-16)14-9-11(17)8-13-12(14)10-18-19-13;1-9(20)18-12-4-2-10(3-5-12)13-6-11(16)7-15-14(13)8-17-19-15;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;1-24(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;1-17(21(2,19)20)10-3-4-18(8-10)13-6-9(14)5-12-11(13)7-15-16-12/h8-10H,2-7H2,1H3,(H,18,19);2-8H,1H3,(H,17,19)(H,18,20);6-8H,2-5H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,18,19);5-7,10H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?
8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1625.02 g/mol, XLogP of 13.07, 11 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159490406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).