sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide

C106H130ClN25NaO15- — CID 159580096

About sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide

sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide (PubChem CID 159580096) has the molecular formula C106H130ClN25NaO15- and a molecular weight of 2052.81 g/mol. Its IUPAC name is sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide.

Molecular Properties

• Compound Name: sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide
• PubChem CID: 159580096
• Molecular Formula: C106H130ClN25NaO15-
• Molecular Weight: 2052.81 g/mol
• Exact Mass: 2050.98
• IUPAC Name: sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide
• SMILES: C.Cc1c(OC=O)cc2cncn2c1N(C)C1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cncn3c(N(C)C3CCOCC3)c2C)c(=O)[nH]1.N#CC/C(C#N)=C\C1=CN=CC1.O=C1CCOCC1.O=CC1=CN=CC1.O=CO.[C-]#[N+]c1cc2cncn2c(CC2CCOCC2)c1C.[C-]#[N+]c1cc2cncn2c(N(C)C2CCOCC2)c1C.[C-]#[N+]c1cc2cncn2c(N)c1C.[Cl-].[Na+].[OH-]
• InChI: InChI=1S/C23H29N5O3.C15H18N4O.C15H19N3O3.C15H17N3O.C9H8N4.C9H7N3.C8H12N2O.C5H5NO.C5H8O2.CH2O2.CH4.ClH.Na.H2O/c1-14-9-15(2)26-22(30)20(14)12-25-21(29)19-10-18-11-24-13-28(18)23(16(19)3)27(4)17-5-7-31-8-6-17;1-11-14(16-2)8-13-9-17-10-19(13)15(11)18(3)12-4-6-20-7-5-12;1-11-14(21-10-19)7-13-8-16-9-18(13)15(11)17(2)12-3-5-20-6-4-12;1-11-14(16-2)8-13-9-17-10-18(13)15(11)7-12-3-5-19-6-4-12;1-6-8(11-2)3-7-4-12-5-13(7)9(6)10;10-3-1-8(6-11)5-9-2-4-12-7-9;1-5-3-6(2)10-8(11)7(5)4-9;7-4-5-1-2-6-3-5;6-5-1-3-7-4-2-5;2-1-3;;;;/h9-11,13,17H,5-8,12H2,1-4H3,(H,25,29)(H,26,30);8-10,12H,4-7H2,1,3H3;7-10,12H,3-6H2,1-2H3;8-10,12H,3-7H2,1H3;3-5H,10H2,1H3;4-5,7H,1-2H2;3H,4,9H2,1-2H3,(H,10,11);2-4H,1H2;1-4H2;1H,(H,2,3);1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-2/b;;;;;8-5+
• InChIKey: GPUWWNHAHCORBF-FYTNTNNQSA-L
• XLogP: 9.27
• TPSA: 502.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.81
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide?

The IUPAC name of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide (CID 159580096) is sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide.

What is the SMILES notation for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide?

The canonical SMILES for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide is C.Cc1c(OC=O)cc2cncn2c1N(C)C1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cncn3c(N(C)C3CCOCC3)c2C)c(=O)[nH]1.N#CC/C(C#N)=C\C1=CN=CC1.O=C1CCOCC1.O=CC1=CN=CC1.O=CO.[C-]#[N+]c1cc2cncn2c(CC2CCOCC2)c1C.[C-]#[N+]c1cc2cncn2c(N(C)C2CCOCC2)c1C.[C-]#[N+]c1cc2cncn2c(N)c1C.[Cl-].[Na+].[OH-].

What is the InChIKey of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide?

The InChIKey is GPUWWNHAHCORBF-FYTNTNNQSA-L. The full InChI is InChI=1S/C23H29N5O3.C15H18N4O.C15H19N3O3.C15H17N3O.C9H8N4.C9H7N3.C8H12N2O.C5H5NO.C5H8O2.CH2O2.CH4.ClH.Na.H2O/c1-14-9-15(2)26-22(30)20(14)12-25-21(29)19-10-18-11-24-13-28(18)23(16(19)3)27(4)17-5-7-31-8-6-17;1-11-14(16-2)8-13-9-17-10-19(13)15(11)18(3)12-4-6-20-7-5-12;1-11-14(21-10-19)7-13-8-16-9-18(13)15(11)17(2)12-3-5-20-6-4-12;1-11-14(16-2)8-13-9-17-10-18(13)15(11)7-12-3-5-19-6-4-12;1-6-8(11-2)3-7-4-12-5-13(7)9(6)10;10-3-1-8(6-11)5-9-2-4-12-7-9;1-5-3-6(2)10-8(11)7(5)4-9;7-4-5-1-2-6-3-5;6-5-1-3-7-4-2-5;2-1-3;;;;/h9-11,13,17H,5-8,12H2,1-4H3,(H,25,29)(H,26,30);8-10,12H,4-7H2,1,3H3;7-10,12H,3-6H2,1-2H3;8-10,12H,3-7H2,1H3;3-5H,10H2,1H3;4-5,7H,1-2H2;3H,4,9H2,1-2H3,(H,10,11);2-4H,1H2;1-4H2;1H,(H,2,3);1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-2/b;;;;;8-5+;;;;;;;;.

What are the key properties of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide?

sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide has a molecular weight of 2052.81 g/mol, XLogP of 9.27, 17 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridine-7-carboxamide;formic acid;7-isocyano-N,6-dimethyl-N-(oxan-4-yl)imidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methylimidazo[1,5-a]pyridin-5-amine;7-isocyano-6-methyl-5-(oxan-4-ylmethyl)imidazo[1,5-a]pyridine;methane;[6-methyl-5-[methyl(oxan-4-yl)amino]imidazo[1,5-a]pyridin-7-yl] formate;oxan-4-one;3H-pyrrole-4-carbaldehyde;(2E)-2-(3H-pyrrol-4-ylmethylidene)butanedinitrile;chloride;hydroxide is sourced from PubChem (CID 159580096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).