lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine

C90H92Cl3LiN12O10 — CID 159394686

IUPAClithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1.Clc1ccccn1.NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl.Nc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=Cc1ccc(Oc2ccccc2)cc1.OC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl.[CH2-]CCC.[Li+]
InChIInChI=1S/C23H23N5O.C17H14ClN3O.C17H13ClN2O2.C13H10O2.C11H19NO4.C5H4ClN.C4H9.Li/c24-22-21-20(16-8-10-19(11-9-16)29-18-6-2-1-3-7-18)27-23(28(21)14-13-26-22)17-5-4-12-25-15-17;18-17-16(20-10-11-21-17)15(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;18-17-15(19-10-11-20-17)16(21)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12;1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14;6-5-3-1-2-4-7-5;1-3-4-2;/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-11,15H,19H2;1-11,16,21H;1-10H;8H,4-7H2,1-3H3,(H,13,14);1-4H;1,3-4H2,2H3;/q;;;;;;-1;+1
InChIKeyGQZRBSVPYQTJFD-UHFFFAOYSA-N
MW1615.10 g/mol
LogP17.58
Rot. Bonds17

About lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine

lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 159394686) has the molecular formula C90H92Cl3LiN12O10 and a molecular weight of 1615.10 g/mol. Its IUPAC name is lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Namelithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID159394686
Molecular FormulaC90H92Cl3LiN12O10
Molecular Weight1615.10 g/mol
Exact Mass1612.63
IUPAC Namelithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1.Clc1ccccn1.NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl.Nc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=Cc1ccc(Oc2ccccc2)cc1.OC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl.[CH2-]CCC.[Li+]
InChIInChI=1S/C23H23N5O.C17H14ClN3O.C17H13ClN2O2.C13H10O2.C11H19NO4.C5H4ClN.C4H9.Li/c24-22-21-20(16-8-10-19(11-9-16)29-18-6-2-1-3-7-18)27-23(28(21)14-13-26-22)17-5-4-12-25-15-17;18-17-16(20-10-11-21-17)15(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;18-17-15(19-10-11-20-17)16(21)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12;1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14;6-5-3-1-2-4-7-5;1-3-4-2;/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-11,15H,19H2;1-11,16,21H;1-10H;8H,4-7H2,1-3H3,(H,13,14);1-4H;1,3-4H2,2H3;/q;;;;;;-1;+1
InChIKeyGQZRBSVPYQTJFD-UHFFFAOYSA-N
XLogP17.58
TPSA299.77 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.10
LogP ≤ 517.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

Lithium;butane;2-chloropyrazine;(4-chloropyrimidin-5-yl)-(4-phenoxyphenyl)methanamine;(4-chloropyrimidin-5-yl)-(4-phenoxyphenyl)methanol;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 157189429
Lithium;butane;2-chloropyrazine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 157640063
Lithium;butane;2-chloropyrazine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;hydrazine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 157845707
(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride
CID 158256737
Lithium;butane;2-chloropyrazine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;5-(4-phenoxyphenyl)-7-piperidin-3-ylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 159459771
Lithium;butane;2-chloropyrazine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 159883227
Lithium;butane;2-chloro-3-[(4-phenoxyphenyl)methyl]pyrazine;2-chloropyrazine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 160263927
Lithium;butane;2-chloropyrazine;bis((3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol);1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;5-(4-phenoxyphenyl)-7-piperidin-3-ylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 160821445
Acetonitrile;2-chloro-5-isocyanopyridine;4-(4-chlorophenoxy)benzaldehyde;1-[5-[3-[4-(4-chlorophenoxy)phenyl]propyl]-2-pyridinyl]piperidine-3-carboxylic acid;ethyl 1-[5-(aminomethyl)-2-pyridinyl]piperidine-3-carboxylate;ethyl 1-[5-[3-[4-(4-chlorophenoxy)phenyl]propyl]-2-pyridinyl]piperidine-3-carboxylate;ethyl 1-(5-isocyano-2-pyridinyl)piperidine-3-carboxylate;ethyl piperidine-3-carboxylate
CID 161226413
4-chlorobenzene-1,2-diamine;4-[[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid;cyclohexylmethanol;2-fluoro-5-methoxypyridine;methane;methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate;methyl 4-methylbenzoate;methyl 4-(piperidin-4-ylmethoxy)benzoate
CID 161690981
methyl 2-[[4-[2-[(4-chlorophenyl)methyl]-6-[[2-[4-[2-[(4-chlorophenyl)methyl]pyrimidin-4-yl]oxyphenyl]acetyl]-[6-methoxycarbonyl-2-[[(2S)-oxetan-2-yl]methylamino]-3-pyridinyl]amino]pyrimidin-4-yl]oxyphenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate
CID 169673401

Frequently Asked Questions

What is the IUPAC name of lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine (CID 159394686) is lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine is CC(C)(C)OC(=O)N1CCCC(C(=O)O)C1.Clc1ccccn1.NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl.Nc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=Cc1ccc(Oc2ccccc2)cc1.OC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is GQZRBSVPYQTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C17H14ClN3O.C17H13ClN2O2.C13H10O2.C11H19NO4.C5H4ClN.C4H9.Li/c24-22-21-20(16-8-10-19(11-9-16)29-18-6-2-1-3-7-18)27-23(28(21)14-13-26-22)17-5-4-12-25-15-17;18-17-16(20-10-11-21-17)15(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;18-17-15(19-10-11-20-17)16(21)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12;1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14;6-5-3-1-2-4-7-5;1-3-4-2;/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-11,15H,19H2;1-11,16,21H;1-10H;8H,4-7H2,1-3H3,(H,13,14);1-4H;1,3-4H2,2H3;/q;;;;;;-1;+1.
What are the key properties of lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine?
lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1615.10 g/mol, XLogP of 17.58, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanol;2-chloropyridine;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;4-phenoxybenzaldehyde;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159394686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).