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

C64H73N17O6S2 — CID 159575417

IUPACN-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
SMILESCC(=O)N1CCN(c2cccc3cnn(C)c23)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/C14H18N4O.C14H13N3.C13H18N4O2S.C13H11N3.C10H13N3O3S/c1-11(19)17-6-8-18(9-7-17)13-5-3-4-12-10-15-16(2)14(12)13;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/h3-5,10H,6-9H2,1-2H3;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)
InChIKeyMIIPCHLRCKXOHN-UHFFFAOYSA-N
MW1240.53 g/mol
LogP8.87
Rot. Bonds13

About 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

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 (PubChem CID 159575417) has the molecular formula C64H73N17O6S2 and a molecular weight of 1240.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID159575417
Molecular FormulaC64H73N17O6S2
Molecular Weight1240.53 g/mol
Exact Mass1239.54
IUPAC NameN-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
SMILESCC(=O)N1CCN(c2cccc3cnn(C)c23)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/C14H18N4O.C14H13N3.C13H18N4O2S.C13H11N3.C10H13N3O3S/c1-11(19)17-6-8-18(9-7-17)13-5-3-4-12-10-15-16(2)14(12)13;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/h3-5,10H,6-9H2,1-2H3;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)
InChIKeyMIIPCHLRCKXOHN-UHFFFAOYSA-N
XLogP8.87
TPSA265.31 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms89
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.53
LogP ≤ 58.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2cccc3cnn(C)c23)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-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine?
The InChIKey is MIIPCHLRCKXOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.C14H13N3.C13H18N4O2S.C13H11N3.C10H13N3O3S/c1-11(19)17-6-8-18(9-7-17)13-5-3-4-12-10-15-16(2)14(12)13;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/h3-5,10H,6-9H2,1-2H3;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-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine?
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 has a molecular weight of 1240.53 g/mol, XLogP of 8.87, 13 rotatable bonds, 6 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-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine is sourced from PubChem (CID 159575417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).