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

C43H49F6LiN10O3 — CID 161189462

IUPAClithium;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
SMILESC.CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc23)CC1.CN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1.NCc1ccc(C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C21H22F3N5O.C13H16N4O2.C8H8F3N.CH4.Li/c1-28-8-10-29(11-9-28)19-17-7-4-15(12-18(17)26-27-19)20(30)25-13-14-2-5-16(6-3-14)21(22,23)24;1-16-4-6-17(7-5-16)12-10-3-2-9(13(18)19)8-11(10)14-15-12;9-8(10,11)7-3-1-6(5-12)2-4-7;;/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27);2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);1-4H,5,12H2;1H4;/q;;;;+1/p-1
InChIKeyNPFWHIXIEBSZLT-UHFFFAOYSA-M
MW874.86 g/mol
LogP2.75
Rot. Bonds7

About 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

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 (PubChem CID 161189462) has the molecular formula C43H49F6LiN10O3 and a molecular weight of 874.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID161189462
Molecular FormulaC43H49F6LiN10O3
Molecular Weight874.86 g/mol
Exact Mass874.41
IUPAC Namelithium;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
SMILESC.CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc23)CC1.CN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1.NCc1ccc(C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C21H22F3N5O.C13H16N4O2.C8H8F3N.CH4.Li/c1-28-8-10-29(11-9-28)19-17-7-4-15(12-18(17)26-27-19)20(30)25-13-14-2-5-16(6-3-14)21(22,23)24;1-16-4-6-17(7-5-16)12-10-3-2-9(13(18)19)8-11(10)14-15-12;9-8(10,11)7-3-1-6(5-12)2-4-7;;/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27);2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);1-4H,5,12H2;1H4;/q;;;;+1/p-1
InChIKeyNPFWHIXIEBSZLT-UHFFFAOYSA-M
XLogP2.75
TPSA165.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500874.86
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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;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
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
3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
CID 57444025
3-(2-pyrrolidin-1-ylethylamino)-1H-indazole-6-carboxylate
CID 57473624
lithium 3-(4-methyl-piperazin-1-yl)-1H-indazole-6-carboxylate
CID 69188513
4-[[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamoyl]-3-nitrobenzoic acid;N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazine-1-carbonyl)-2-nitrobenzamide
CID 87557460
lithium;N-benzyl-1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxamide;methane;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate;phenylmethanamine
CID 157234983
lithium;3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate;3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide;4-phenylaniline
CID 157370522
lithium;methane;3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate;3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide;4-phenylaniline
CID 157374540

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)ccc23)CC1.CN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1.NCc1ccc(C(F)(F)F)cc1.[Li+].
What is the InChIKey of 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?
The InChIKey is NPFWHIXIEBSZLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H22F3N5O.C13H16N4O2.C8H8F3N.CH4.Li/c1-28-8-10-29(11-9-28)19-17-7-4-15(12-18(17)26-27-19)20(30)25-13-14-2-5-16(6-3-14)21(22,23)24;1-16-4-6-17(7-5-16)12-10-3-2-9(13(18)19)8-11(10)14-15-12;9-8(10,11)7-3-1-6(5-12)2-4-7;;/h2-7,12H,8-11,13H2,1H3,(H,25,30)(H,26,27);2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);1-4H,5,12H2;1H4;/q;;;;+1/p-1.
What are the key properties of 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?
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 has a molecular weight of 874.86 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161189462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).