2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine

C87H102Cl3N28O15P — CID 158394188

About 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine

2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 158394188) has the molecular formula C87H102Cl3N28O15P and a molecular weight of 1917.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 158394188
• Molecular Formula: C87H102Cl3N28O15P
• Molecular Weight: 1917.29 g/mol
• Exact Mass: 1914.69
• IUPAC Name: 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine
• SMILES: CCOC(=O)Cn1nc(C)c2cccnc21.COc1cc(N2CCN(C(=O)Cn3nc(CN)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(CN=[N+]=[N-])c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCNCC2)ccc1Cl.Cc1[nH]nc2ncccc12.O=C(O)CCP(CCC(=O)O)CCC(=O)O.[N-]=[N+]=NCc1nn(CC(=O)O)c2ncccc12
• InChI: InChI=1S/C20H21ClN8O2.C20H23ClN6O2.C11H15ClN2O.C11H13N3O2.C9H8N6O2.C9H15O6P.C7H7N3/c1-31-18-11-14(4-5-16(18)21)27-7-9-28(10-8-27)19(30)13-29-20-15(3-2-6-23-20)17(25-29)12-24-26-22;1-29-18-11-14(4-5-16(18)21)25-7-9-26(10-8-25)19(28)13-27-20-15(3-2-6-23-20)17(12-22)24-27;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-3-16-10(15)7-14-11-9(8(2)13-14)5-4-6-12-11;10-14-12-4-7-6-2-1-3-11-9(6)15(13-7)5-8(16)17;10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;1-5-6-3-2-4-8-7(6)10-9-5/h2-6,11H,7-10,12-13H2,1H3;2-6,11H,7-10,12-13,22H2,1H3;2-3,8,13H,4-7H2,1H3;4-6H,3,7H2,1-2H3;1-3H,4-5H2,(H,16,17);1-6H2,(H,10,11)(H,12,13)(H,14,15);2-4H,1H3,(H,8,9,10)
• InChIKey: GXIMMHMCPDHYMM-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 553.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.29
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine (CID 158394188) is 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine is CCOC(=O)Cn1nc(C)c2cccnc21.COc1cc(N2CCN(C(=O)Cn3nc(CN)c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(CN=[N+]=[N-])c4cccnc43)CC2)ccc1Cl.COc1cc(N2CCNCC2)ccc1Cl.Cc1[nH]nc2ncccc12.O=C(O)CCP(CCC(=O)O)CCC(=O)O.[N-]=[N+]=NCc1nn(CC(=O)O)c2ncccc12.

What is the InChIKey of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is GXIMMHMCPDHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8O2.C20H23ClN6O2.C11H15ClN2O.C11H13N3O2.C9H8N6O2.C9H15O6P.C7H7N3/c1-31-18-11-14(4-5-16(18)21)27-7-9-28(10-8-27)19(30)13-29-20-15(3-2-6-23-20)17(25-29)12-24-26-22;1-29-18-11-14(4-5-16(18)21)25-7-9-26(10-8-25)19(28)13-27-20-15(3-2-6-23-20)17(12-22)24-27;1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-3-16-10(15)7-14-11-9(8(2)13-14)5-4-6-12-11;10-14-12-4-7-6-2-1-3-11-9(6)15(13-7)5-8(16)17;10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;1-5-6-3-2-4-8-7(6)10-9-5/h2-6,11H,7-10,12-13H2,1H3;2-6,11H,7-10,12-13,22H2,1H3;2-3,8,13H,4-7H2,1H3;4-6H,3,7H2,1-2H3;1-3H,4-5H2,(H,16,17);1-6H2,(H,10,11)(H,12,13)(H,14,15);2-4H,1H3,(H,8,9,10).

What are the key properties of 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine?

2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1917.29 g/mol, XLogP of 11.70, 29 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(aminomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid;2-[3-(azidomethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;1-(4-chloro-3-methoxyphenyl)piperazine;ethyl 2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)acetate;3-methyl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158394188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).