lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate

C45H59LiN10O5 — CID 158187421

IUPAClithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
SMILESC.CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2ccc3c(N4CCN(C)CC4)nn(C)c3c2)cc1.[Li+]
InChIInChI=1S/C22H27N5O2.C14H18N4O2.C8H11NO.CH4.Li/c1-25-10-12-27(13-11-25)21-19-9-6-17(14-20(19)26(2)24-21)22(28)23-15-16-4-7-18(29-3)8-5-16;1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;1-10-8-4-2-7(6-9)3-5-8;;/h4-9,14H,10-13,15H2,1-3H3,(H,23,28);3-4,9H,5-8H2,1-2H3,(H,19,20);2-5H,6,9H2,1H3;1H4;/q;;;;+1/p-1
InChIKeyGLPMGOYAFDMTJM-UHFFFAOYSA-M
MW826.97 g/mol
LogP0.75
Rot. Bonds9

About lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate

lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate (PubChem CID 158187421) has the molecular formula C45H59LiN10O5 and a molecular weight of 826.97 g/mol. Its IUPAC name is lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate.

Molecular Properties

Compound Namelithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
PubChem CID158187421
Molecular FormulaC45H59LiN10O5
Molecular Weight826.97 g/mol
Exact Mass826.48
IUPAC Namelithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
SMILESC.CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2ccc3c(N4CCN(C)CC4)nn(C)c3c2)cc1.[Li+]
InChIInChI=1S/C22H27N5O2.C14H18N4O2.C8H11NO.CH4.Li/c1-25-10-12-27(13-11-25)21-19-9-6-17(14-20(19)26(2)24-21)22(28)23-15-16-4-7-18(29-3)8-5-16;1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;1-10-8-4-2-7(6-9)3-5-8;;/h4-9,14H,10-13,15H2,1-3H3,(H,23,28);3-4,9H,5-8H2,1-2H3,(H,19,20);2-5H,6,9H2,1H3;1H4;/q;;;;+1/p-1
InChIKeyGLPMGOYAFDMTJM-UHFFFAOYSA-M
XLogP0.75
TPSA162.31 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.97
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate with MolForge

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Related Compounds

4-{[2-(4-Methoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]methyl}-N-[2-(piperidin-1-YL)ethyl]benzamide
CID 53023133
1-Methyl-3-(4-methyl-piperazin-1-yl)-1H-indazole-6-carboxylic acid 4-trifluoromethoxy-benzylamide
CID 24988373
Methyl 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-yl]carbamoyl]benzoate
CID 66858836
Methyl 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoate
CID 66859533
Methyl 1-methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylate
CID 135345772
lithium;methane;3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate;3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine
CID 157358309
lithium;methane;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]indazole-6-carboxamide;[4-(trifluoromethyl)phenyl]methanamine
CID 157683849
lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine
CID 158446516
lithium;methane;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine
CID 162239724
4-methoxy-N-[2-[7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]indazol-1-yl]ethyl]benzamide
CID 44633985
3-methoxy-2-methyl-6-{4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carbonyl}-2H-indazole
CID 145875401
4-{[4-(2,3-Dihydro-1H-indole-1-carbonyl)phenyl]methyl}-2-(4-methoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-5-one
CID 53003700

Frequently Asked Questions

What is the IUPAC name of lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The IUPAC name of lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate (CID 158187421) is lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate.
What is the SMILES notation for lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The canonical SMILES for lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate is C.CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2ccc3c(N4CCN(C)CC4)nn(C)c3c2)cc1.[Li+].
What is the InChIKey of lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The InChIKey is GLPMGOYAFDMTJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H27N5O2.C14H18N4O2.C8H11NO.CH4.Li/c1-25-10-12-27(13-11-25)21-19-9-6-17(14-20(19)26(2)24-21)22(28)23-15-16-4-7-18(29-3)8-5-16;1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;1-10-8-4-2-7(6-9)3-5-8;;/h4-9,14H,10-13,15H2,1-3H3,(H,23,28);3-4,9H,5-8H2,1-2H3,(H,19,20);2-5H,6,9H2,1H3;1H4;/q;;;;+1/p-1.
What are the key properties of lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate has a molecular weight of 826.97 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate is sourced from PubChem (CID 158187421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).