lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine

C43H53F6LiN10O3 — CID 159162018

IUPAClithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine
SMILESC.CN(C)CCN(C)c1n[nH]c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc12.CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.NCc1ccc(C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C21H24F3N5O.C13H18N4O2.C8H8F3N.CH4.Li/c1-28(2)10-11-29(3)19-17-9-6-15(12-18(17)26-27-19)20(30)25-13-14-4-7-16(8-5-14)21(22,23)24;1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12;9-8(10,11)7-3-1-6(5-12)2-4-7;;/h4-9,12H,10-11,13H2,1-3H3,(H,25,30)(H,26,27);4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19);1-4H,5,12H2;1H4;/q;;;;+1/p-1
InChIKeyGRMOTFZLDICVEA-UHFFFAOYSA-M
MW878.89 g/mol
LogP3.24
Rot. Bonds13

About lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine

lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 159162018) has the molecular formula C43H53F6LiN10O3 and a molecular weight of 878.89 g/mol. Its IUPAC name is lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namelithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine
PubChem CID159162018
Molecular FormulaC43H53F6LiN10O3
Molecular Weight878.89 g/mol
Exact Mass878.44
IUPAC Namelithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine
SMILESC.CN(C)CCN(C)c1n[nH]c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc12.CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.NCc1ccc(C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C21H24F3N5O.C13H18N4O2.C8H8F3N.CH4.Li/c1-28(2)10-11-29(3)19-17-9-6-15(12-18(17)26-27-19)20(30)25-13-14-4-7-16(8-5-14)21(22,23)24;1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12;9-8(10,11)7-3-1-6(5-12)2-4-7;;/h4-9,12H,10-11,13H2,1-3H3,(H,25,30)(H,26,27);4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19);1-4H,5,12H2;1H4;/q;;;;+1/p-1
InChIKeyGRMOTFZLDICVEA-UHFFFAOYSA-M
XLogP3.24
TPSA165.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500878.89
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

3-(4-Methyl-piperazin-1-yl)-1H-indazole-6-carboxylic acid 4-trifluoromethyl-benzylamide
CID 24987621
3-[(2-Dimethylamino-ethyl)-methyl-amino]-1H-indazole-6-carboxylic acid 4-trifluoromethyl-benzylamide
CID 24988376
1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylpyrrolidine-3-carboxamide
CID 70844859
(3R)-3-ethyl-1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 70920008
(3R)-1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-propylpyrrolidine-3-carboxamide
CID 71046970
3-ethyl-1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 145531044
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;3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate;3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethyl)phenyl]methanamine
CID 161189462
3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
CID 57444025
3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
CID 57473624

Frequently Asked Questions

What is the IUPAC name of lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine (CID 159162018) is lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine is C.CN(C)CCN(C)c1n[nH]c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc12.CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.NCc1ccc(C(F)(F)F)cc1.[Li+].
What is the InChIKey of lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GRMOTFZLDICVEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24F3N5O.C13H18N4O2.C8H8F3N.CH4.Li/c1-28(2)10-11-29(3)19-17-9-6-15(12-18(17)26-27-19)20(30)25-13-14-4-7-16(8-5-14)21(22,23)24;1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12;9-8(10,11)7-3-1-6(5-12)2-4-7;;/h4-9,12H,10-11,13H2,1-3H3,(H,25,30)(H,26,27);4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19);1-4H,5,12H2;1H4;/q;;;;+1/p-1.
What are the key properties of lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine?
lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 878.89 g/mol, XLogP of 3.24, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 159162018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).