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

C45H53F6LiN10O5 — CID 162239724

IUPAClithium;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
SMILESC.CN1CCN(c2nn(C)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1.CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.NCc1ccc(OC(F)(F)F)cc1.[Li+]
InChIInChI=1S/C22H24F3N5O2.C14H18N4O2.C8H8F3NO.CH4.Li/c1-28-9-11-30(12-10-28)20-18-8-5-16(13-19(18)29(2)27-20)21(31)26-14-15-3-6-17(7-4-15)32-22(23,24)25;1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;9-8(10,11)13-7-3-1-6(5-12)2-4-7;;/h3-8,13H,9-12,14H2,1-2H3,(H,26,31);3-4,9H,5-8H2,1-2H3,(H,19,20);1-4H,5,12H2;1H4;/q;;;;+1/p-1
InChIKeyRXKXZVSMTOYSCK-UHFFFAOYSA-M
MW934.91 g/mol
LogP2.53
Rot. Bonds9

About 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

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 (PubChem CID 162239724) has the molecular formula C45H53F6LiN10O5 and a molecular weight of 934.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID162239724
Molecular FormulaC45H53F6LiN10O5
Molecular Weight934.91 g/mol
Exact Mass934.43
IUPAC Namelithium;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
SMILESC.CN1CCN(c2nn(C)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1.CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.NCc1ccc(OC(F)(F)F)cc1.[Li+]
InChIInChI=1S/C22H24F3N5O2.C14H18N4O2.C8H8F3NO.CH4.Li/c1-28-9-11-30(12-10-28)20-18-8-5-16(13-19(18)29(2)27-20)21(31)26-14-15-3-6-17(7-4-15)32-22(23,24)25;1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;9-8(10,11)13-7-3-1-6(5-12)2-4-7;;/h3-8,13H,9-12,14H2,1-2H3,(H,26,31);3-4,9H,5-8H2,1-2H3,(H,19,20);1-4H,5,12H2;1H4;/q;;;;+1/p-1
InChIKeyRXKXZVSMTOYSCK-UHFFFAOYSA-M
XLogP2.53
TPSA162.31 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.91
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

4-[[1-[[4-(Difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-yl]carbamoyl]benzoic acid
CID 24954490
4-[[1-[[4-(Difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoic acid
CID 24954851
3-(4-Methyl-piperazin-1-yl)-1H-indazole-6-carboxylic acid 4-trifluoromethoxy-benzylamide
CID 24987623
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]-7-fluoroindazol-3-yl]carbamoyl]benzoate
CID 66858557
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
1-Methyl-3-[[4-(trifluoromethoxy)benzoyl]amino]indazole-6-carboxylic acid
CID 135345847
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
6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N,N-dimethyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
CID 157646251
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CN1CCN(c2nn(C)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1.CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.NCc1ccc(OC(F)(F)F)cc1.[Li+].
What is the InChIKey of 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?
The InChIKey is RXKXZVSMTOYSCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24F3N5O2.C14H18N4O2.C8H8F3NO.CH4.Li/c1-28-9-11-30(12-10-28)20-18-8-5-16(13-19(18)29(2)27-20)21(31)26-14-15-3-6-17(7-4-15)32-22(23,24)25;1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;9-8(10,11)13-7-3-1-6(5-12)2-4-7;;/h3-8,13H,9-12,14H2,1-2H3,(H,26,31);3-4,9H,5-8H2,1-2H3,(H,19,20);1-4H,5,12H2;1H4;/q;;;;+1/p-1.
What are the key properties of 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?
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 has a molecular weight of 934.91 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162239724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).