2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane

C104H114Cl6IN33O8 — CID 161315999

About 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane

2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane (PubChem CID 161315999) has the molecular formula C104H114Cl6IN33O8 and a molecular weight of 2293.90 g/mol. Its IUPAC name is 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane.

Molecular Properties

• Compound Name: 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane
• PubChem CID: 161315999
• Molecular Formula: C104H114Cl6IN33O8
• Molecular Weight: 2293.90 g/mol
• Exact Mass: 2289.67
• IUPAC Name: 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane
• SMILES: C.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(C#N)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(C(N)=NO)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)ccc1Cl.NO.O=CCCl.[H]/N=C(\N)c1nn(CC(=O)N2CCN(c3ccc(Cl)c(C)c3)CC2)c2ncccc12
• InChI: InChI=1S/C22H22ClN7O.C20H22ClN7O2.C20H22ClN7O.C20H19ClN6O.C19H19ClIN5O.C2H3ClO.CH4.H3NO/c1-15-13-16(4-5-18(15)23)28-9-11-29(12-10-28)19(31)14-30-22-17(3-2-6-26-22)20(27-30)21-24-7-8-25-21;1-13-11-14(4-5-16(13)21)26-7-9-27(10-8-26)17(29)12-28-20-15(3-2-6-23-20)18(24-28)19(22)25-30;1-13-11-14(4-5-16(13)21)26-7-9-27(10-8-26)17(29)12-28-20-15(3-2-6-24-20)18(25-28)19(22)23;1-14-11-15(4-5-17(14)21)25-7-9-26(10-8-25)19(28)13-27-20-16(3-2-6-23-20)18(12-22)24-27;1-13-11-14(4-5-16(13)20)24-7-9-25(10-8-24)17(27)12-26-19-15(18(21)23-26)3-2-6-22-19;3-1-2-4;;1-2/h2-8,13H,9-12,14H2,1H3,(H,24,25);2-6,11,30H,7-10,12H2,1H3,(H2,22,25);2-6,11H,7-10,12H2,1H3,(H3,22,23);2-6,11H,7-10,13H2,1H3;2-6,11H,7-10,12H2,1H3;2H,1H2;1H4;2H,1H2
• InChIKey: VJMSZBNFGZZOSL-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 495.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.90
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane?

The IUPAC name of 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane (CID 161315999) is 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane.

What is the SMILES notation for 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane?

The canonical SMILES for 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane is C.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(C#N)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(C(N)=NO)c4cccnc43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)ccc1Cl.NO.O=CCCl.[H]/N=C(\N)c1nn(CC(=O)N2CCN(c3ccc(Cl)c(C)c3)CC2)c2ncccc12.

What is the InChIKey of 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane?

The InChIKey is VJMSZBNFGZZOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O.C20H22ClN7O2.C20H22ClN7O.C20H19ClN6O.C19H19ClIN5O.C2H3ClO.CH4.H3NO/c1-15-13-16(4-5-18(15)23)28-9-11-29(12-10-28)19(31)14-30-22-17(3-2-6-26-22)20(27-30)21-24-7-8-25-21;1-13-11-14(4-5-16(13)21)26-7-9-27(10-8-26)17(29)12-28-20-15(3-2-6-23-20)18(24-28)19(22)25-30;1-13-11-14(4-5-16(13)21)26-7-9-27(10-8-26)17(29)12-28-20-15(3-2-6-24-20)18(25-28)19(22)23;1-14-11-15(4-5-17(14)21)25-7-9-26(10-8-25)19(28)13-27-20-16(3-2-6-23-20)18(12-22)24-27;1-13-11-14(4-5-16(13)20)24-7-9-25(10-8-24)17(27)12-26-19-15(18(21)23-26)3-2-6-22-19;3-1-2-4;;1-2/h2-8,13H,9-12,14H2,1H3,(H,24,25);2-6,11,30H,7-10,12H2,1H3,(H2,22,25);2-6,11H,7-10,12H2,1H3,(H3,22,23);2-6,11H,7-10,13H2,1H3;2-6,11H,7-10,12H2,1H3;2H,1H2;1H4;2H,1H2.

What are the key properties of 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane?

2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane has a molecular weight of 2293.90 g/mol, XLogP of 13.35, 19 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloroacetaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydroxylamine;methane is sourced from PubChem (CID 161315999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).