2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine

C47H56Cl4N16O4 — CID 157216410

About 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine

2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 157216410) has the molecular formula C47H56Cl4N16O4 and a molecular weight of 1050.88 g/mol. Its IUPAC name is 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
• PubChem CID: 157216410
• Molecular Formula: C47H56Cl4N16O4
• Molecular Weight: 1050.88 g/mol
• Exact Mass: 1048.34
• IUPAC Name: 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
• SMILES: COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(N)c4ccc(C)nc43)CC2)ccc1Cl.Cc1ccc(C#N)c(Cl)n1.Cc1ccc2c(N)[nH]nc2n1.NN
• InChI: InChI=1S/C20H23ClN6O2.C13H16Cl2N2O2.C7H5ClN2.C7H8N4.H4N2/c1-13-3-5-15-19(22)24-27(20(15)23-13)12-18(28)26-9-7-25(8-10-26)14-4-6-16(21)17(11-14)29-2;1-19-12-8-10(2-3-11(12)15)16-4-6-17(7-5-16)13(18)9-14;1-5-2-3-6(4-9)7(8)10-5;1-4-2-3-5-6(8)10-11-7(5)9-4;1-2/h3-6,11H,7-10,12H2,1-2H3,(H2,22,24);2-3,8H,4-7,9H2,1H3;2-3H,1H3;2-3H,1H3,(H3,8,9,10,11);1-2H2
• InChIKey: ASLVKIWYMCAORE-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 278.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1050.88
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine?

The IUPAC name of 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 157216410) is 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine.

What is the SMILES notation for 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine?

The canonical SMILES for 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine is COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(N)c4ccc(C)nc43)CC2)ccc1Cl.Cc1ccc(C#N)c(Cl)n1.Cc1ccc2c(N)[nH]nc2n1.NN.

What is the InChIKey of 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine?

The InChIKey is ASLVKIWYMCAORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2.C13H16Cl2N2O2.C7H5ClN2.C7H8N4.H4N2/c1-13-3-5-15-19(22)24-27(20(15)23-13)12-18(28)26-9-7-25(8-10-26)14-4-6-16(21)17(11-14)29-2;1-19-12-8-10(2-3-11(12)15)16-4-6-17(7-5-16)13(18)9-14;1-5-2-3-6(4-9)7(8)10-5;1-4-2-3-5-6(8)10-11-7(5)9-4;1-2/h3-6,11H,7-10,12H2,1-2H3,(H2,22,24);2-3,8H,4-7,9H2,1H3;2-3H,1H3;2-3H,1H3,(H3,8,9,10,11);1-2H2.

What are the key properties of 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine?

2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 1050.88 g/mol, XLogP of 6.15, 7 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-6-methylpyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-chloro-6-methylpyridine-3-carbonitrile;hydrazine;6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 157216410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).