lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

C88H106AlKLiN17O3 — CID 158470549

IUPAClithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESC=C.CN1CCN(c2ncccc2C#N)C(c2ccccc2)C1.CN1CCN(c2ncccc2C(=O)[O-])C(c2ccccc2)C1.CN1CCN(c2ncccc2CO)C(c2ccccc2)C1.CN1CCN2c3ncccc3Cc3ccccc3C2C1.CN1CCNC(c2ccccc2)C1.Cc1ncccc1C#N.[AlH3].[H-].[K+].[Li+]
InChIInChI=1S/C17H18N4.C17H19N3O2.C17H21N3O.C17H19N3.C11H16N2.C7H6N2.C2H4.Al.K.Li.4H/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14;1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16;1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14;1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10;1-6-7(5-8)3-2-4-9-6;1-2;;;;;;;/h2-9,16H,10-11,13H2,1H3;2-9,15H,10-12H2,1H3,(H,21,22);2-9,16,21H,10-13H2,1H3;2-8,16H,9-12H2,1H3;2-6,11-12H,7-9H2,1H3;2-4H,1H3;1-2H2;;;;;;;/q;;;;;;;;2*+1;;;;-1/p-1
InChIKeyWAHPZCKOMLEDIR-UHFFFAOYSA-M
MW1522.95 g/mol
LogP4.19
Rot. Bonds9

About lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (PubChem CID 158470549) has the molecular formula C88H106AlKLiN17O3 and a molecular weight of 1522.95 g/mol. Its IUPAC name is lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.

Molecular Properties

Compound Namelithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
PubChem CID158470549
Molecular FormulaC88H106AlKLiN17O3
Molecular Weight1522.95 g/mol
Exact Mass1521.83
IUPAC Namelithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESC=C.CN1CCN(c2ncccc2C#N)C(c2ccccc2)C1.CN1CCN(c2ncccc2C(=O)[O-])C(c2ccccc2)C1.CN1CCN(c2ncccc2CO)C(c2ccccc2)C1.CN1CCN2c3ncccc3Cc3ccccc3C2C1.CN1CCNC(c2ccccc2)C1.Cc1ncccc1C#N.[AlH3].[H-].[K+].[Li+]
InChIInChI=1S/C17H18N4.C17H19N3O2.C17H21N3O.C17H19N3.C11H16N2.C7H6N2.C2H4.Al.K.Li.4H/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14;1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16;1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14;1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10;1-6-7(5-8)3-2-4-9-6;1-2;;;;;;;/h2-9,16H,10-11,13H2,1H3;2-9,15H,10-12H2,1H3,(H,21,22);2-9,16,21H,10-13H2,1H3;2-8,16H,9-12H2,1H3;2-6,11-12H,7-9H2,1H3;2-4H,1H3;1-2H2;;;;;;;/q;;;;;;;;2*+1;;;;-1/p-1
InChIKeyWAHPZCKOMLEDIR-UHFFFAOYSA-M
XLogP4.19
TPSA213.58 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001522.95
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The IUPAC name of lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (CID 158470549) is lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.
What is the SMILES notation for lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The canonical SMILES for lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is C=C.CN1CCN(c2ncccc2C#N)C(c2ccccc2)C1.CN1CCN(c2ncccc2C(=O)[O-])C(c2ccccc2)C1.CN1CCN(c2ncccc2CO)C(c2ccccc2)C1.CN1CCN2c3ncccc3Cc3ccccc3C2C1.CN1CCNC(c2ccccc2)C1.Cc1ncccc1C#N.[AlH3].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The InChIKey is WAHPZCKOMLEDIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N4.C17H19N3O2.C17H21N3O.C17H19N3.C11H16N2.C7H6N2.C2H4.Al.K.Li.4H/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14;1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16;1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14;1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10;1-6-7(5-8)3-2-4-9-6;1-2;;;;;;;/h2-9,16H,10-11,13H2,1H3;2-9,15H,10-12H2,1H3,(H,21,22);2-9,16,21H,10-13H2,1H3;2-8,16H,9-12H2,1H3;2-6,11-12H,7-9H2,1H3;2-4H,1H3;1-2H2;;;;;;;/q;;;;;;;;2*+1;;;;-1/p-1.
What are the key properties of lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene has a molecular weight of 1522.95 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;alumane;ethene;hydride;1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylate;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is sourced from PubChem (CID 158470549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).