2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate

C50H58Br2N8O10 — CID 175751970

About 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate

2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 175751970) has the molecular formula C50H58Br2N8O10 and a molecular weight of 1090.87 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate
• PubChem CID: 175751970
• Molecular Formula: C50H58Br2N8O10
• Molecular Weight: 1090.87 g/mol
• Exact Mass: 1088.26
• IUPAC Name: 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2nn1-c1ccc(Br)cc1OC.COc1cc(Br)ccc1-n1nc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ccnc2c1C(=O)O
• InChI: InChI=1S/C26H31BrN4O5.C24H27BrN4O5/c1-6-35-24(32)23-22-21(29-31(23)19-8-7-17(27)15-20(19)34-5)18(9-12-28-22)16-10-13-30(14-11-16)25(33)36-26(2,3)4;1-24(2,3)34-23(32)28-11-8-14(9-12-28)16-7-10-26-20-19(16)27-29(21(20)22(30)31)17-6-5-15(25)13-18(17)33-4/h7-9,12,15-16H,6,10-11,13-14H2,1-5H3;5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,30,31)
• InChIKey: KJVAYAVUCNEZQN-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 202.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1090.87
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate?

The IUPAC name of 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate (CID 175751970) is 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate.

What is the SMILES notation for 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate?

The canonical SMILES for 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate is CCOC(=O)c1c2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2nn1-c1ccc(Br)cc1OC.COc1cc(Br)ccc1-n1nc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ccnc2c1C(=O)O.

What is the InChIKey of 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate?

The InChIKey is KJVAYAVUCNEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrN4O5.C24H27BrN4O5/c1-6-35-24(32)23-22-21(29-31(23)19-8-7-17(27)15-20(19)34-5)18(9-12-28-22)16-10-13-30(14-11-16)25(33)36-26(2,3)4;1-24(2,3)34-23(32)28-11-8-14(9-12-28)16-7-10-26-20-19(16)27-29(21(20)22(30)31)17-6-5-15(25)13-18(17)33-4/h7-9,12,15-16H,6,10-11,13-14H2,1-5H3;5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,30,31).

What are the key properties of 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate?

2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 1090.87 g/mol, XLogP of 10.49, 9 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;ethyl 2-(4-bromo-2-methoxyphenyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 175751970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).