N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine

C68H75N17O7S3 — CID 159997459

IUPACN-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine
SMILESCS(=O)(=O)N1CCN(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.CS(=O)(=O)NCCOc1cccc2[nH]ncc12.Cn1ncc2cccc(N3CCN(S(C)(=O)=O)CC3)c21.c1ccc(CNc2cccc3[nH]ncc23)cc1.c1ccc(Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C18H20N4O2S.C14H13N3.C13H18N4O2S.C13H11N3.C10H13N3O3S/c1-25(23,24)22-9-7-21(8-10-22)18-12-15(14-5-3-2-4-6-14)11-17-16(18)13-19-20-17;1-2-5-11(6-3-1)9-15-13-7-4-8-14-12(13)10-16-17-14;1-15-13-11(10-14-15)4-3-5-12(13)16-6-8-17(9-7-16)20(2,18)19;1-2-5-10(6-3-1)15-12-7-4-8-13-11(12)9-14-16-13;1-17(14,15)12-5-6-16-10-4-2-3-9-8(10)7-11-13-9/h2-6,11-13H,7-10H2,1H3,(H,19,20);1-8,10,15H,9H2,(H,16,17);3-5,10H,6-9H2,1-2H3;1-9,15H,(H,14,16);2-4,7,12H,5-6H2,1H3,(H,11,13)
InChIKeyOHSNKIKDNISFGX-UHFFFAOYSA-N
MW1338.66 g/mol
LogP9.94
Rot. Bonds15

About N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine

N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine (PubChem CID 159997459) has the molecular formula C68H75N17O7S3 and a molecular weight of 1338.66 g/mol. Its IUPAC name is N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine.

Molecular Properties

Compound NameN-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine
PubChem CID159997459
Molecular FormulaC68H75N17O7S3
Molecular Weight1338.66 g/mol
Exact Mass1337.52
IUPAC NameN-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine
SMILESCS(=O)(=O)N1CCN(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.CS(=O)(=O)NCCOc1cccc2[nH]ncc12.Cn1ncc2cccc(N3CCN(S(C)(=O)=O)CC3)c21.c1ccc(CNc2cccc3[nH]ncc23)cc1.c1ccc(Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C18H20N4O2S.C14H13N3.C13H18N4O2S.C13H11N3.C10H13N3O3S/c1-25(23,24)22-9-7-21(8-10-22)18-12-15(14-5-3-2-4-6-14)11-17-16(18)13-19-20-17;1-2-5-11(6-3-1)9-15-13-7-4-8-14-12(13)10-16-17-14;1-15-13-11(10-14-15)4-3-5-12(13)16-6-8-17(9-7-16)20(2,18)19;1-2-5-10(6-3-1)15-12-7-4-8-13-11(12)9-14-16-13;1-17(14,15)12-5-6-16-10-4-2-3-9-8(10)7-11-13-9/h2-6,11-13H,7-10H2,1H3,(H,19,20);1-8,10,15H,9H2,(H,16,17);3-5,10H,6-9H2,1-2H3;1-9,15H,(H,14,16);2-4,7,12H,5-6H2,1H3,(H,11,13)
InChIKeyOHSNKIKDNISFGX-UHFFFAOYSA-N
XLogP9.94
TPSA293.24 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001338.66
LogP ≤ 59.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine with MolForge

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Related Compounds

1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine
CID 162115896
N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine
CID 159575417
N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;N-phenyl-1H-indazol-4-amine
CID 160221470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine?
The IUPAC name of N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine (CID 159997459) is N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine.
What is the SMILES notation for N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine?
The canonical SMILES for N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine is CS(=O)(=O)N1CCN(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.CS(=O)(=O)NCCOc1cccc2[nH]ncc12.Cn1ncc2cccc(N3CCN(S(C)(=O)=O)CC3)c21.c1ccc(CNc2cccc3[nH]ncc23)cc1.c1ccc(Nc2cccc3[nH]ncc23)cc1.
What is the InChIKey of N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine?
The InChIKey is OHSNKIKDNISFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S.C14H13N3.C13H18N4O2S.C13H11N3.C10H13N3O3S/c1-25(23,24)22-9-7-21(8-10-22)18-12-15(14-5-3-2-4-6-14)11-17-16(18)13-19-20-17;1-2-5-11(6-3-1)9-15-13-7-4-8-14-12(13)10-16-17-14;1-15-13-11(10-14-15)4-3-5-12(13)16-6-8-17(9-7-16)20(2,18)19;1-2-5-10(6-3-1)15-12-7-4-8-13-11(12)9-14-16-13;1-17(14,15)12-5-6-16-10-4-2-3-9-8(10)7-11-13-9/h2-6,11-13H,7-10H2,1H3,(H,19,20);1-8,10,15H,9H2,(H,16,17);3-5,10H,6-9H2,1-2H3;1-9,15H,(H,14,16);2-4,7,12H,5-6H2,1H3,(H,11,13).
What are the key properties of N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine?
N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine has a molecular weight of 1338.66 g/mol, XLogP of 9.94, 15 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine is sourced from PubChem (CID 159997459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).