2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane

C65H73Cl5I4N18O4 — CID 159378223

About 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane

2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane (PubChem CID 159378223) has the molecular formula C65H73Cl5I4N18O4 and a molecular weight of 1855.30 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane.

Molecular Properties

• Compound Name: 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane
• PubChem CID: 159378223
• Molecular Formula: C65H73Cl5I4N18O4
• Molecular Weight: 1855.30 g/mol
• Exact Mass: 1852.07
• IUPAC Name: 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane
• SMILES: C.C.Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4c(I)ccnc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl.Ic1ccnc2[nH]ncc12.NN.O=Cc1c(I)ccnc1Cl
• InChI: InChI=1S/2C19H19ClIN5O.C13H16Cl2N2O.C6H3ClINO.C6H4IN3.2CH4.H4N2/c1-13-10-14(2-3-16(13)20)24-6-8-25(9-7-24)18(27)12-26-11-15-17(21)4-5-22-19(15)23-26;1-13-10-14(2-3-16(13)20)24-6-8-25(9-7-24)18(27)12-26-19-15(11-23-26)17(21)4-5-22-19;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-6-4(3-10)5(8)1-2-9-6;7-5-1-2-8-6-4(5)3-9-10-6;;;1-2/h2*2-5,10-11H,6-9,12H2,1H3;2-3,8H,4-7,9H2,1H3;1-3H;1-3H,(H,8,9,10);2*1H4;1-2H2
• InChIKey: LKOWFXJIKWOIFB-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 255.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.30
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane?

The IUPAC name of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane (CID 159378223) is 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane.

What is the SMILES notation for 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane?

The canonical SMILES for 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane is C.C.Cc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3cc4c(I)ccnc4n3)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl.Ic1ccnc2[nH]ncc12.NN.O=Cc1c(I)ccnc1Cl.

What is the InChIKey of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane?

The InChIKey is LKOWFXJIKWOIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19ClIN5O.C13H16Cl2N2O.C6H3ClINO.C6H4IN3.2CH4.H4N2/c1-13-10-14(2-3-16(13)20)24-6-8-25(9-7-24)18(27)12-26-11-15-17(21)4-5-22-19(15)23-26;1-13-10-14(2-3-16(13)20)24-6-8-25(9-7-24)18(27)12-26-19-15(11-23-26)17(21)4-5-22-19;1-10-8-11(2-3-12(10)15)16-4-6-17(7-5-16)13(18)9-14;7-6-4(3-10)5(8)1-2-9-6;7-5-1-2-8-6-4(5)3-9-10-6;;;1-2/h2*2-5,10-11H,6-9,12H2,1H3;2-3,8H,4-7,9H2,1H3;1-3H;1-3H,(H,8,9,10);2*1H4;1-2H2.

What are the key properties of 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane?

2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane has a molecular weight of 1855.30 g/mol, XLogP of 13.03, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane is sourced from PubChem (CID 159378223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).