6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine

C58H77BrN12O2 — CID 161061761

IUPAC6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine
SMILESCCc1[nH]nc2cc(N3CCN(C)CC3)ccc12.CCc1nn(Cc2ccc(OC)cc2)c2cc(Br)ccc12.CCc1nn(Cc2ccc(OC)cc2)c2cc(N3CCN(C)CC3)ccc12.CN1CCNCC1
InChIInChI=1S/C22H28N4O.C17H17BrN2O.C14H20N4.C5H12N2/c1-4-21-20-10-7-18(25-13-11-24(2)12-14-25)15-22(20)26(23-21)16-17-5-8-19(27-3)9-6-17;1-3-16-15-9-6-13(18)10-17(15)20(19-16)11-12-4-7-14(21-2)8-5-12;1-3-13-12-5-4-11(10-14(12)16-15-13)18-8-6-17(2)7-9-18;1-7-4-2-6-3-5-7/h5-10,15H,4,11-14,16H2,1-3H3;4-10H,3,11H2,1-2H3;4-5,10H,3,6-9H2,1-2H3,(H,15,16);6H,2-5H2,1H3
InChIKeyUDMISHQZCJAVAB-UHFFFAOYSA-N
MW1054.24 g/mol
LogP9.22
Rot. Bonds11

About 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine

6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine (PubChem CID 161061761) has the molecular formula C58H77BrN12O2 and a molecular weight of 1054.24 g/mol. Its IUPAC name is 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine.

Molecular Properties

Compound Name6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine
PubChem CID161061761
Molecular FormulaC58H77BrN12O2
Molecular Weight1054.24 g/mol
Exact Mass1052.55
IUPAC Name6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine
SMILESCCc1[nH]nc2cc(N3CCN(C)CC3)ccc12.CCc1nn(Cc2ccc(OC)cc2)c2cc(Br)ccc12.CCc1nn(Cc2ccc(OC)cc2)c2cc(N3CCN(C)CC3)ccc12.CN1CCNCC1
InChIInChI=1S/C22H28N4O.C17H17BrN2O.C14H20N4.C5H12N2/c1-4-21-20-10-7-18(25-13-11-24(2)12-14-25)15-22(20)26(23-21)16-17-5-8-19(27-3)9-6-17;1-3-16-15-9-6-13(18)10-17(15)20(19-16)11-12-4-7-14(21-2)8-5-12;1-3-13-12-5-4-11(10-14(12)16-15-13)18-8-6-17(2)7-9-18;1-7-4-2-6-3-5-7/h5-10,15H,4,11-14,16H2,1-3H3;4-10H,3,11H2,1-2H3;4-5,10H,3,6-9H2,1-2H3,(H,15,16);6H,2-5H2,1H3
InChIKeyUDMISHQZCJAVAB-UHFFFAOYSA-N
XLogP9.22
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001054.24
LogP ≤ 59.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-6-piperazin-1-yl-2H-indazole
CID 59781257
tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole
CID 159945137
1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole
CID 23627510
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
11-methoxy-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166635790
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride
CID 67448706
1-(4-methoxyphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzimidazol-5-amine
CID 66794145
6-bromo-2-[(4-methoxyphenyl)methyl]-4-(trifluoromethoxy)phthalazin-1-one
CID 162731856
5-bromo-3-methyl-2H-indazole;bis(1-ethyl-4-methoxybenzene);3-methyl-2H-indazole-5-carbonitrile
CID 162289731
2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline
CID 166517361
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine?
The IUPAC name of 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine (CID 161061761) is 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine.
What is the SMILES notation for 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine?
The canonical SMILES for 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine is CCc1[nH]nc2cc(N3CCN(C)CC3)ccc12.CCc1nn(Cc2ccc(OC)cc2)c2cc(Br)ccc12.CCc1nn(Cc2ccc(OC)cc2)c2cc(N3CCN(C)CC3)ccc12.CN1CCNCC1.
What is the InChIKey of 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine?
The InChIKey is UDMISHQZCJAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.C17H17BrN2O.C14H20N4.C5H12N2/c1-4-21-20-10-7-18(25-13-11-24(2)12-14-25)15-22(20)26(23-21)16-17-5-8-19(27-3)9-6-17;1-3-16-15-9-6-13(18)10-17(15)20(19-16)11-12-4-7-14(21-2)8-5-12;1-3-13-12-5-4-11(10-14(12)16-15-13)18-8-6-17(2)7-9-18;1-7-4-2-6-3-5-7/h5-10,15H,4,11-14,16H2,1-3H3;4-10H,3,11H2,1-2H3;4-5,10H,3,6-9H2,1-2H3,(H,15,16);6H,2-5H2,1H3.
What are the key properties of 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine?
6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine has a molecular weight of 1054.24 g/mol, XLogP of 9.22, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-1-[(4-methoxyphenyl)methyl]indazole;3-ethyl-1-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)indazole;3-ethyl-6-(4-methylpiperazin-1-yl)-2H-indazole;1-methylpiperazine is sourced from PubChem (CID 161061761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).