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

C42H49F6LiN10O5 — CID 158446516

IUPAClithium;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
SMILESCN(C)CCN(C)c1n[nH]c2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc12.CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.NCc1ccc(OC(F)(F)F)cc1.[Li+]
InChIInChI=1S/C21H24F3N5O2.C13H18N4O2.C8H8F3NO.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)31-21(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)13-7-3-1-6(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;/q;;;+1/p-1
InChIKeyRXWKNGSINOHFRZ-UHFFFAOYSA-M
MW894.85 g/mol
LogP2.36
Rot. Bonds15

About 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

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 (PubChem CID 158446516) has the molecular formula C42H49F6LiN10O5 and a molecular weight of 894.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID158446516
Molecular FormulaC42H49F6LiN10O5
Molecular Weight894.85 g/mol
Exact Mass894.40
IUPAC Namelithium;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
SMILESCN(C)CCN(C)c1n[nH]c2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc12.CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.NCc1ccc(OC(F)(F)F)cc1.[Li+]
InChIInChI=1S/C21H24F3N5O2.C13H18N4O2.C8H8F3NO.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)31-21(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)13-7-3-1-6(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;/q;;;+1/p-1
InChIKeyRXWKNGSINOHFRZ-UHFFFAOYSA-M
XLogP2.36
TPSA184.03 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.85
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

bis(4-(4-methylpiperazin-1-yl)-N-[6-[2-[[4-(trifluoromethyl)phenyl]methoxy]ethoxy]-1H-indazol-3-yl]benzamide);oxalic acid
CID 176028523
[4-[(1H-indazol-3-ylamino)methyl]phenyl]-[4-(4-methoxybenzoyl)piperazin-1-yl]methanone
CID 172454025
[4-[(1H-indazol-3-ylamino)methyl]phenyl]-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 172462701
[4-[(1H-indazol-3-ylamino)methyl]phenyl]-[4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 172471638
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
3-[(2-Dimethylamino-ethyl)-methyl-amino]-1H-indazole-6-carboxylic acid 4-trifluoromethoxy-benzylamide
CID 24988377
Methyl 4-[[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]carbamoyl]benzoate
CID 66859533
4-[[3-[[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]piperidin-3-yl]amino]-1H-indazol-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118635993
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate
CID 142438315
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;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

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-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCN(C)c1n[nH]c2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc12.CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.NCc1ccc(OC(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-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is RXWKNGSINOHFRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24F3N5O2.C13H18N4O2.C8H8F3NO.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)31-21(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)13-7-3-1-6(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;/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-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine?
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 has a molecular weight of 894.85 g/mol, XLogP of 2.36, 15 rotatable bonds, 4 hydrogen bond donors, and 12 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-(trifluoromethoxy)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 158446516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).