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

C49H67Cl3N12O4S — CID 158726572

IUPACN-[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.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.Clc1cc(N2CCC(N3CCOCC3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H21ClN4O/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;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/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);9-11,13H,1-8H2,(H,18,19)
InChIKeyIKOOEFGPJYQYFI-UHFFFAOYSA-N
MW1026.58 g/mol
LogP8.53
Rot. Bonds7

About 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

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 158726572) has the molecular formula C49H67Cl3N12O4S and a molecular weight of 1026.58 g/mol. Its IUPAC name is 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 NameN-[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 CID158726572
Molecular FormulaC49H67Cl3N12O4S
Molecular Weight1026.58 g/mol
Exact Mass1024.42
IUPAC NameN-[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.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.Clc1cc(N2CCC(N3CCOCC3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H21ClN4O/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;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/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);9-11,13H,1-8H2,(H,18,19)
InChIKeyIKOOEFGPJYQYFI-UHFFFAOYSA-N
XLogP8.53
TPSA165.92 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001026.58
LogP ≤ 58.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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

1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 159480763
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
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
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 157348032
1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole
CID 157493976
N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]methanesulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
CID 157528513
2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 157766038
4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazine-1-sulfonamide;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methanesulfonamide;6-chloro-4-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indazole
CID 157786582
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 157792385
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
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-3-yl]methyl]-N-methylmethanesulfonamide
CID 157889831

Frequently Asked Questions

What is the IUPAC name of 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 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 158726572) is 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 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 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.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.Clc1cc(N2CCC(N3CCOCC3)CC2)c2cn[nH]c2c1.
What is the InChIKey of 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 IKOOEFGPJYQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H21ClN4O/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;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/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);9-11,13H,1-8H2,(H,18,19).
What are the key properties of 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?
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 1026.58 g/mol, XLogP of 8.53, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158726572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).