lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide

C46H43LiN10O7 — CID 161449618

IUPAClithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide
SMILESCCOC(=O)Cc1ccccc1NC(=O)c1cc(-c2cccc(CN)c2)nn2ccnc12.NCc1cccc(-c2cc(C(=O)Nc3ccccc3CC(=O)O)c3nccn3n2)c1.[Li+].[OH-]
InChIInChI=1S/C24H23N5O3.C22H19N5O3.Li.H2O/c1-2-32-22(30)13-18-7-3-4-9-20(18)27-24(31)19-14-21(28-29-11-10-26-23(19)29)17-8-5-6-16(12-17)15-25;23-13-14-4-3-6-15(10-14)19-12-17(21-24-8-9-27(21)26-19)22(30)25-18-7-2-1-5-16(18)11-20(28)29;;/h3-12,14H,2,13,15,25H2,1H3,(H,27,31);1-10,12H,11,13,23H2,(H,25,30)(H,28,29);;1H2/q;;+1;/p-1
InChIKeyWAIXXDONAHUMAC-UHFFFAOYSA-M
MW854.85 g/mol
LogP2.77
Rot. Bonds13

About lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide

lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide (PubChem CID 161449618) has the molecular formula C46H43LiN10O7 and a molecular weight of 854.85 g/mol. Its IUPAC name is lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide.

Molecular Properties

Compound Namelithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide
PubChem CID161449618
Molecular FormulaC46H43LiN10O7
Molecular Weight854.85 g/mol
Exact Mass854.35
IUPAC Namelithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide
SMILESCCOC(=O)Cc1ccccc1NC(=O)c1cc(-c2cccc(CN)c2)nn2ccnc12.NCc1cccc(-c2cc(C(=O)Nc3ccccc3CC(=O)O)c3nccn3n2)c1.[Li+].[OH-]
InChIInChI=1S/C24H23N5O3.C22H19N5O3.Li.H2O/c1-2-32-22(30)13-18-7-3-4-9-20(18)27-24(31)19-14-21(28-29-11-10-26-23(19)29)17-8-5-6-16(12-17)15-25;23-13-14-4-3-6-15(10-14)19-12-17(21-24-8-9-27(21)26-19)22(30)25-18-7-2-1-5-16(18)11-20(28)29;;/h3-12,14H,2,13,15,25H2,1H3,(H,27,31);1-10,12H,11,13,23H2,(H,25,30)(H,28,29);;1H2/q;;+1;/p-1
InChIKeyWAIXXDONAHUMAC-UHFFFAOYSA-M
XLogP2.77
TPSA264.22 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.85
LogP ≤ 52.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide with MolForge

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Related Compounds

2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
CID 54767249
2-[(4-Hydroxycyclohexyl)amino]-4-[3-propan-2-yl-4-(4-pyridin-4-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 117736689
2-[(4-Hydroxycyclohexyl)amino]-4-[3-propan-2-yl-4-(4-pyridin-3-ylimidazol-1-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 117736692
N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
CID 118537171
N-(6-(4-(4-Fluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 118538778
2-[2-[[2-[3-(1-Aminoethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]phenyl]acetic acid
CID 139561728
2-[2-[[2-[3-(Aminomethyl)-5-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-4-methylphenyl]acetic acid
CID 139561772
2-[2-[[2-[3-(Aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-4-methylphenyl]acetic acid
CID 139561883
2-[2-[[2-[3-(Aminomethyl)-5-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]phenyl]acetic acid
CID 139561895
2-[2-[[2-[3-(Aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]phenyl]acetic acid
CID 139562003
5-Fluoro-4-[3-[3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxycarbonylphenyl]propyl]-2-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)benzoic acid
CID 162752048
4-[3-[4-Carboxy-3-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenyl]propyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid
CID 167013212

Frequently Asked Questions

What is the IUPAC name of lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide?
The IUPAC name of lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide (CID 161449618) is lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide.
What is the SMILES notation for lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide?
The canonical SMILES for lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide is CCOC(=O)Cc1ccccc1NC(=O)c1cc(-c2cccc(CN)c2)nn2ccnc12.NCc1cccc(-c2cc(C(=O)Nc3ccccc3CC(=O)O)c3nccn3n2)c1.[Li+].[OH-].
What is the InChIKey of lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide?
The InChIKey is WAIXXDONAHUMAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23N5O3.C22H19N5O3.Li.H2O/c1-2-32-22(30)13-18-7-3-4-9-20(18)27-24(31)19-14-21(28-29-11-10-26-23(19)29)17-8-5-6-16(12-17)15-25;23-13-14-4-3-6-15(10-14)19-12-17(21-24-8-9-27(21)26-19)22(30)25-18-7-2-1-5-16(18)11-20(28)29;;/h3-12,14H,2,13,15,25H2,1H3,(H,27,31);1-10,12H,11,13,23H2,(H,25,30)(H,28,29);;1H2/q;;+1;/p-1.
What are the key properties of lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide?
lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide has a molecular weight of 854.85 g/mol, XLogP of 2.77, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide is sourced from PubChem (CID 161449618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).