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

C64H69Cl5I4N18O7 — CID 158438090

About 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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 158438090) has the molecular formula C64H69Cl5I4N18O7 and a molecular weight of 1887.26 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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: 158438090
• Molecular Formula: C64H69Cl5I4N18O7
• Molecular Weight: 1887.26 g/mol
• Exact Mass: 1884.02
• IUPAC Name: 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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.COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3cc4c(I)ccnc4n3)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3ncc4c(I)ccnc43)CC2)ccc1Cl.Ic1ccnc2[nH]ncc12.NN.O=Cc1c(I)ccnc1Cl
• InChI: InChI=1S/2C19H19ClIN5O2.C13H16Cl2N2O2.C6H3ClINO.C6H4IN3.CH4.H4N2/c1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-11-14-16(21)4-5-22-19(14)23-26;1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-19-14(11-23-26)16(21)4-5-22-19;1-19-12-8-10(2-3-11(12)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);1H4;1-2H2
• InChIKey: HCMAJKLWPDAWQH-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 283.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1887.26
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone;hydrazine;4-iodo-1H-pyrazolo[3,4-b]pyridine;methane (CID 158438090) is 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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.COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3cc4c(I)ccnc4n3)CC2)ccc1Cl.COc1cc(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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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 HCMAJKLWPDAWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19ClIN5O2.C13H16Cl2N2O2.C6H3ClINO.C6H4IN3.CH4.H4N2/c1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-11-14-16(21)4-5-22-19(14)23-26;1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-19-14(11-23-26)16(21)4-5-22-19;1-19-12-8-10(2-3-11(12)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);1H4;1-2H2.

What are the key properties of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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 1887.26 g/mol, XLogP of 11.50, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-4-iodopyridine-3-carbaldehyde;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)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 158438090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).