[(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride

C34H35ClFN5O7 — CID 66669771

About [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride

[(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride (PubChem CID 66669771) has the molecular formula C34H35ClFN5O7 and a molecular weight of 680.13 g/mol. Its IUPAC name is [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride.

Molecular Properties

• Compound Name: [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride
• PubChem CID: 66669771
• Molecular Formula: C34H35ClFN5O7
• Molecular Weight: 680.13 g/mol
• Exact Mass: 679.22
• IUPAC Name: [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)OC(=O)C(C)N)n(-c5ccccc5)c4=O)cc3F)c2cc1OC.Cl
• InChI: InChI=1S/C34H34FN5O7.ClH/c1-19(46-34(43)20(2)36)18-39-21(3)31(33(42)40(39)23-9-7-6-8-10-23)32(41)38-22-11-12-28(25(35)15-22)47-27-13-14-37-26-17-30(45-5)29(44-4)16-24(26)27;/h6-17,19-20H,18,36H2,1-5H3,(H,38,41);1H/t19-,20?;/m1./s1
• InChIKey: LHVIFMSCMDJIFA-FVXGQCTOSA-N
• XLogP: 5.40
• TPSA: 148.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	680.13
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride?

The IUPAC name of [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride (CID 66669771) is [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride.

What is the SMILES notation for [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride?

The canonical SMILES for [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)OC(=O)C(C)N)n(-c5ccccc5)c4=O)cc3F)c2cc1OC.Cl.

What is the InChIKey of [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride?

The InChIKey is LHVIFMSCMDJIFA-FVXGQCTOSA-N. The full InChI is InChI=1S/C34H34FN5O7.ClH/c1-19(46-34(43)20(2)36)18-39-21(3)31(33(42)40(39)23-9-7-6-8-10-23)32(41)38-22-11-12-28(25(35)15-22)47-27-13-14-37-26-17-30(45-5)29(44-4)16-24(26)27;/h6-17,19-20H,18,36H2,1-5H3,(H,38,41);1H/t19-,20?;/m1./s1.

What are the key properties of [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride?

[(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride has a molecular weight of 680.13 g/mol, XLogP of 5.40, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[4-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminopropanoate;hydrochloride is sourced from PubChem (CID 66669771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).