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

C89H91Cl3LiN13O10 — CID 157189429

IUPAClithium;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
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1.Clc1cnccn1.NC(c1ccc(Oc2ccccc2)cc1)c1cncnc1Cl.Nc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=Cc1ccc(Oc2ccccc2)cc1.OC(c1ccc(Oc2ccccc2)cc1)c1cncnc1Cl.[CH2-]CCC.[Li+]
InChIInChI=1S/C23H23N5O.C17H14ClN3O.C17H13ClN2O2.C13H10O2.C11H19NO4.C4H3ClN2.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;18-17-15(10-20-11-21-17)16(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;18-17-15(10-19-11-20-17)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;5-4-3-6-1-2-7-4;1-3-4-2;/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-11,16H,19H2;1-11,16,21H;1-10H;8H,4-7H2,1-3H3,(H,13,14);1-3H;1,3-4H2,2H3;/q;;;;;;-1;+1
InChIKeyMZTNNKSVRBGSMJ-UHFFFAOYSA-N
MW1616.09 g/mol
LogP16.98
Rot. Bonds17

About 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

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 (PubChem CID 157189429) has the molecular formula C89H91Cl3LiN13O10 and a molecular weight of 1616.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID157189429
Molecular FormulaC89H91Cl3LiN13O10
Molecular Weight1616.09 g/mol
Exact Mass1613.62
IUPAC Namelithium;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
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)O)C1.Clc1cnccn1.NC(c1ccc(Oc2ccccc2)cc1)c1cncnc1Cl.Nc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=Cc1ccc(Oc2ccccc2)cc1.OC(c1ccc(Oc2ccccc2)cc1)c1cncnc1Cl.[CH2-]CCC.[Li+]
InChIInChI=1S/C23H23N5O.C17H14ClN3O.C17H13ClN2O2.C13H10O2.C11H19NO4.C4H3ClN2.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;18-17-15(10-20-11-21-17)16(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;18-17-15(10-19-11-20-17)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;5-4-3-6-1-2-7-4;1-3-4-2;/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-11,16H,19H2;1-11,16,21H;1-10H;8H,4-7H2,1-3H3,(H,13,14);1-3H;1,3-4H2,2H3;/q;;;;;;-1;+1
InChIKeyMZTNNKSVRBGSMJ-UHFFFAOYSA-N
XLogP16.98
TPSA312.66 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.09
LogP ≤ 516.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 87531445
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;(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
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
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;6-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine;methane;4-phenylmethoxybenzaldehyde
CID 159664800
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
Acetonitrile;2-chloro-5-isocyanopyridine;4-(4-chlorophenoxy)benzaldehyde;5-[3-[4-(4-chlorophenoxy)phenyl]propyl]-2-(3-methylpiperidin-1-yl)pyridine;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 161546550

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCCC(C(=O)O)C1.Clc1cnccn1.NC(c1ccc(Oc2ccccc2)cc1)c1cncnc1Cl.Nc1nccn2c(C3CCCNC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.O=Cc1ccc(Oc2ccccc2)cc1.OC(c1ccc(Oc2ccccc2)cc1)c1cncnc1Cl.[CH2-]CCC.[Li+].
What is the InChIKey of 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?
The InChIKey is MZTNNKSVRBGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C17H14ClN3O.C17H13ClN2O2.C13H10O2.C11H19NO4.C4H3ClN2.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;18-17-15(10-20-11-21-17)16(19)12-6-8-14(9-7-12)22-13-4-2-1-3-5-13;18-17-15(10-19-11-20-17)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;5-4-3-6-1-2-7-4;1-3-4-2;/h1-3,6-11,13-14,17,25H,4-5,12,15H2,(H2,24,26);1-11,16H,19H2;1-11,16,21H;1-10H;8H,4-7H2,1-3H3,(H,13,14);1-3H;1,3-4H2,2H3;/q;;;;;;-1;+1.
What are the key properties of 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?
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 has a molecular weight of 1616.09 g/mol, XLogP of 16.98, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157189429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).