6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine

C79H103Cl5N20O5S — CID 157104194

IUPAC6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC(=O)N1CCC2(CC1)CN(c1cc(Cl)cc3[nH]ncc13)C2.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.Clc1cc(N2CCC(N3CCOCC3)CC2)c2cn[nH]c2c1.Clc1cc(N2C[C@H]3CC[C@@H](C2)NC3)c2cn[nH]c2c1
InChIInChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H19ClN4O.C16H21ClN4O.C14H17ClN4/c1-11(23)21(4)16-5-6-22(10-17(16,2)3)15-8-12(18)7-14-13(15)9-19-20-14;1-16(2)10-21(6-5-15(16)20(3)24(4,22)23)14-8-11(17)7-13-12(14)9-18-19-13;1-11(22)20-4-2-16(3-5-20)9-21(10-16)15-7-12(17)6-14-13(15)8-18-19-14;17-12-9-15-14(11-18-19-15)16(10-12)21-3-1-13(2-4-21)20-5-7-22-8-6-20;15-10-3-13-12(6-17-18-13)14(4-10)19-7-9-1-2-11(8-19)16-5-9/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);6-8H,2-5,9-10H2,1H3,(H,18,19);9-11,13H,1-8H2,(H,18,19);3-4,6,9,11,16H,1-2,5,7-8H2,(H,17,18)/t;;;;9-,11-/m....0/s1
InChIKeyAGCPZUNXLRLGAF-QILOTKQNSA-N
MW1622.16 g/mol
LogP13.60
Rot. Bonds9

About 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine

6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine (PubChem CID 157104194) has the molecular formula C79H103Cl5N20O5S and a molecular weight of 1622.16 g/mol. Its IUPAC name is 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine
PubChem CID157104194
Molecular FormulaC79H103Cl5N20O5S
Molecular Weight1622.16 g/mol
Exact Mass1618.66
IUPAC Name6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC(=O)N1CCC2(CC1)CN(c1cc(Cl)cc3[nH]ncc13)C2.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.Clc1cc(N2CCC(N3CCOCC3)CC2)c2cn[nH]c2c1.Clc1cc(N2C[C@H]3CC[C@@H](C2)NC3)c2cn[nH]c2c1
InChIInChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H19ClN4O.C16H21ClN4O.C14H17ClN4/c1-11(23)21(4)16-5-6-22(10-17(16,2)3)15-8-12(18)7-14-13(15)9-19-20-14;1-16(2)10-21(6-5-15(16)20(3)24(4,22)23)14-8-11(17)7-13-12(14)9-18-19-13;1-11(22)20-4-2-16(3-5-20)9-21(10-16)15-7-12(17)6-14-13(15)8-18-19-14;17-12-9-15-14(11-18-19-15)16(10-12)21-3-1-13(2-4-21)20-5-7-22-8-6-20;15-10-3-13-12(6-17-18-13)14(4-10)19-7-9-1-2-11(8-19)16-5-9/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);6-8H,2-5,9-10H2,1H3,(H,18,19);9-11,13H,1-8H2,(H,18,19);3-4,6,9,11,16H,1-2,5,7-8H2,(H,17,18)/t;;;;9-,11-/m....0/s1
InChIKeyAGCPZUNXLRLGAF-QILOTKQNSA-N
XLogP13.60
TPSA262.10 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001622.16
LogP ≤ 513.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine with MolForge

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Related Compounds

4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 158105692
6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 158376020
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 160070402
6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 157092304
1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine
CID 157102329
6-chloro-4-cyclohexyl-1H-indazole;1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;1-[9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-4-(2-methylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-1H-indazole
CID 157240168
1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine
CID 157367354
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;4-(6-chloro-1H-indazol-4-yl)piperazine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 157541172
2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;6-chloro-4-(4-propylsulfonylpiperazin-1-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole
CID 157546220
1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-4-(4-phenylpiperidin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine
CID 157792582
N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 157831103
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(oxetan-3-yl)methanone;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(oxetan-3-yl)methanone;4-[4-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-6-yl]morpholine
CID 157851019

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine?
The IUPAC name of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine (CID 157104194) is 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine is CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC(=O)N1CCC2(CC1)CN(c1cc(Cl)cc3[nH]ncc13)C2.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.Clc1cc(N2CCC(N3CCOCC3)CC2)c2cn[nH]c2c1.Clc1cc(N2C[C@H]3CC[C@@H](C2)NC3)c2cn[nH]c2c1.
What is the InChIKey of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine?
The InChIKey is AGCPZUNXLRLGAF-QILOTKQNSA-N. The full InChI is InChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H19ClN4O.C16H21ClN4O.C14H17ClN4/c1-11(23)21(4)16-5-6-22(10-17(16,2)3)15-8-12(18)7-14-13(15)9-19-20-14;1-16(2)10-21(6-5-15(16)20(3)24(4,22)23)14-8-11(17)7-13-12(14)9-18-19-13;1-11(22)20-4-2-16(3-5-20)9-21(10-16)15-7-12(17)6-14-13(15)8-18-19-14;17-12-9-15-14(11-18-19-15)16(10-12)21-3-1-13(2-4-21)20-5-7-22-8-6-20;15-10-3-13-12(6-17-18-13)14(4-10)19-7-9-1-2-11(8-19)16-5-9/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);6-8H,2-5,9-10H2,1H3,(H,18,19);9-11,13H,1-8H2,(H,18,19);3-4,6,9,11,16H,1-2,5,7-8H2,(H,17,18)/t;;;;9-,11-/m....0/s1.
What are the key properties of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine?
6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine has a molecular weight of 1622.16 g/mol, XLogP of 13.60, 9 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 157104194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).