[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid

C34H34N6O10 — CID 46938116

About [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid

[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid (PubChem CID 46938116) has the molecular formula C34H34N6O10 and a molecular weight of 686.68 g/mol. Its IUPAC name is [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid.

Molecular Properties

• Compound Name: [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid
• PubChem CID: 46938116
• Molecular Formula: C34H34N6O10
• Molecular Weight: 686.68 g/mol
• Exact Mass: 686.23
• IUPAC Name: [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid
• SMILES: CNCC(=O)O[C@H](C)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1.O=C(O)C(=O)O
• InChI: InChI=1S/C32H32N6O6.C2H2O4/c1-20(43-29(39)18-33-3)19-37-21(2)30(32(41)38(37)22-8-6-5-7-9-22)31(40)36-28-13-11-24(17-35-28)44-27-14-15-34-26-16-23(42-4)10-12-25(26)27;3-1(4)2(5)6/h5-17,20,33H,18-19H2,1-4H3,(H,35,36,40);(H,3,4)(H,5,6)/t20-;/m1./s1
• InChIKey: ZVZGBQQDKDWBJZ-VEIFNGETSA-N
• XLogP: 3.25
• TPSA: 213.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.68
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid?

The IUPAC name of [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid (CID 46938116) is [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid.

What is the SMILES notation for [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid?

The canonical SMILES for [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid is CNCC(=O)O[C@H](C)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1.O=C(O)C(=O)O.

What is the InChIKey of [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid?

The InChIKey is ZVZGBQQDKDWBJZ-VEIFNGETSA-N. The full InChI is InChI=1S/C32H32N6O6.C2H2O4/c1-20(43-29(39)18-33-3)19-37-21(2)30(32(41)38(37)22-8-6-5-7-9-22)31(40)36-28-13-11-24(17-35-28)44-27-14-15-34-26-16-23(42-4)10-12-25(26)27;3-1(4)2(5)6/h5-17,20,33H,18-19H2,1-4H3,(H,35,36,40);(H,3,4)(H,5,6)/t20-;/m1./s1.

What are the key properties of [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid?

[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid has a molecular weight of 686.68 g/mol, XLogP of 3.25, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-(methylamino)acetate;oxalic acid is sourced from PubChem (CID 46938116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).