lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate

C27H36ClLiN8O8 — CID 163715404

IUPAClithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate
SMILESCOC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N2CCCCC2)cn1.O.O=C(O)c1cnc(N2CCCCC2)cn1.[Li+].[OH-]
InChIInChI=1S/C11H15N3O2.C10H13N3O2.C6H5ClN2O2.Li.2H2O/c1-16-11(15)9-7-13-10(8-12-9)14-5-3-2-4-6-14;14-10(15)8-6-12-9(7-11-8)13-4-2-1-3-5-13;1-11-6(10)4-2-9-5(7)3-8-4;;;/h7-8H,2-6H2,1H3;6-7H,1-5H2,(H,14,15);2-3H,1H3;;2*1H2/q;;;+1;;/p-1
InChIKeyDUCRXUDITKOBIS-UHFFFAOYSA-M
MW643.03 g/mol
LogP-0.66
Rot. Bonds5

About lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate

lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate (PubChem CID 163715404) has the molecular formula C27H36ClLiN8O8 and a molecular weight of 643.03 g/mol. Its IUPAC name is lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate
PubChem CID163715404
Molecular FormulaC27H36ClLiN8O8
Molecular Weight643.03 g/mol
Exact Mass642.25
IUPAC Namelithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate
SMILESCOC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N2CCCCC2)cn1.O.O=C(O)c1cnc(N2CCCCC2)cn1.[Li+].[OH-]
InChIInChI=1S/C11H15N3O2.C10H13N3O2.C6H5ClN2O2.Li.2H2O/c1-16-11(15)9-7-13-10(8-12-9)14-5-3-2-4-6-14;14-10(15)8-6-12-9(7-11-8)13-4-2-1-3-5-13;1-11-6(10)4-2-9-5(7)3-8-4;;;/h7-8H,2-6H2,1H3;6-7H,1-5H2,(H,14,15);2-3H,1H3;;2*1H2/q;;;+1;;/p-1
InChIKeyDUCRXUDITKOBIS-UHFFFAOYSA-M
XLogP-0.66
TPSA235.22 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.03
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
1-chloro-2-fluorobenzene;2-methoxy-N,N-dimethylethanamine;methyl 5-pyrrolidin-1-ylpyrazine-2-carboxylate
CID 176961256
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 166401696
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621

Frequently Asked Questions

What is the IUPAC name of lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate?
The IUPAC name of lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate (CID 163715404) is lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate.
What is the SMILES notation for lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate?
The canonical SMILES for lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate is COC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N2CCCCC2)cn1.O.O=C(O)c1cnc(N2CCCCC2)cn1.[Li+].[OH-].
What is the InChIKey of lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate?
The InChIKey is DUCRXUDITKOBIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N3O2.C10H13N3O2.C6H5ClN2O2.Li.2H2O/c1-16-11(15)9-7-13-10(8-12-9)14-5-3-2-4-6-14;14-10(15)8-6-12-9(7-11-8)13-4-2-1-3-5-13;1-11-6(10)4-2-9-5(7)3-8-4;;;/h7-8H,2-6H2,1H3;6-7H,1-5H2,(H,14,15);2-3H,1H3;;2*1H2/q;;;+1;;/p-1.
What are the key properties of lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate?
lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate has a molecular weight of 643.03 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate is sourced from PubChem (CID 163715404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).