methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C23H21N3O3 — CID 121239609

About methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121239609) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 121239609
• Molecular Formula: C23H21N3O3
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.16
• IUPAC Name: methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(CCC(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C23H21N3O3/c1-29-23(28)20-15-26(14-19-21(20)24-25-22(19)27)13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3,(H,25,27)
• InChIKey: BDTMYEPJXJVBQN-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121239609) is methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

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

The canonical SMILES for methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CCC(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2.

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

The InChIKey is BDTMYEPJXJVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-29-23(28)20-15-26(14-19-21(20)24-25-22(19)27)13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18H,12-13H2,1H3,(H,25,27).

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

methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(3,3-diphenylpropyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121239609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).