methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C23H19ClFN3O3 — CID 124878415

About methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 124878415) has the molecular formula C23H19ClFN3O3 and a molecular weight of 439.87 g/mol. Its IUPAC name is methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 124878415
• Molecular Formula: C23H19ClFN3O3
• Molecular Weight: 439.87 g/mol
• Exact Mass: 439.11
• IUPAC Name: methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C23H19ClFN3O3/c1-31-23(30)20-13-28(12-19-21(20)26-27-22(19)29)11-10-18(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-9,12-13,18H,10-11H2,1H3,(H,27,29)/t18-/m0/s1
• InChIKey: KWMRJFUQXQPWPU-SFHVURJKSA-N
• XLogP: 4.48
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.87
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 124878415) is methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

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

The canonical SMILES for methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc2c(=O)[nH]nc1-2.

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

The InChIKey is KWMRJFUQXQPWPU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c1-31-23(30)20-13-28(12-19-21(20)26-27-22(19)29)11-10-18(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-9,12-13,18H,10-11H2,1H3,(H,27,29)/t18-/m0/s1.

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

methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 439.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 124878415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).