methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C24H20N4O3 — CID 125124134

About methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125124134) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 125124134
• Molecular Formula: C24H20N4O3
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.15
• IUPAC Name: methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(C[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C24H20N4O3/c1-31-24(30)20-14-28(13-19-22(20)26-27-23(19)29)12-18(15-7-3-2-4-8-15)17-11-25-21-10-6-5-9-16(17)21/h2-11,13-14,18,25H,12H2,1H3,(H,27,29)/t18-/m1/s1
• InChIKey: WCIIGSZZFUPDGL-GOSISDBHSA-N
• XLogP: 3.78
• TPSA: 92.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125124134) is methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc2c(=O)[nH]nc1-2.

What is the InChIKey of methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is WCIIGSZZFUPDGL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-24(30)20-14-28(13-19-22(20)26-27-23(19)29)12-18(15-7-3-2-4-8-15)17-11-25-21-10-6-5-9-16(17)21/h2-11,13-14,18,25H,12H2,1H3,(H,27,29)/t18-/m1/s1.

What are the key properties of methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125124134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).