5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

C32H33FN6O3 — CID 175266780

About 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 175266780) has the molecular formula C32H33FN6O3 and a molecular weight of 568.65 g/mol. Its IUPAC name is 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
• PubChem CID: 175266780
• Molecular Formula: C32H33FN6O3
• Molecular Weight: 568.65 g/mol
• Exact Mass: 568.26
• IUPAC Name: 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
• SMILES: Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc([C@H]4OCCNC4c4ccc(F)cc4)c3c2)cn(C)c1=O
• InChI: InChI=1S/C32H33FN6O3/c1-19-13-22(16-38(4)31(19)40)21-7-10-26-25(14-21)28(29-27(34-11-12-42-29)20-5-8-24(33)9-6-20)37-30(36-26)23-15-35-39(17-23)18-32(2,3)41/h5-10,13-17,27,29,34,41H,11-12,18H2,1-4H3/t27?,29-/m0/s1
• InChIKey: MPRBYYHEXXCCBI-ACEFPKFPSA-N
• XLogP: 4.48
• TPSA: 107.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.65
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

The IUPAC name of 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (CID 175266780) is 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.

What is the SMILES notation for 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

The canonical SMILES for 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc([C@H]4OCCNC4c4ccc(F)cc4)c3c2)cn(C)c1=O.

What is the InChIKey of 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

The InChIKey is MPRBYYHEXXCCBI-ACEFPKFPSA-N. The full InChI is InChI=1S/C32H33FN6O3/c1-19-13-22(16-38(4)31(19)40)21-7-10-26-25(14-21)28(29-27(34-11-12-42-29)20-5-8-24(33)9-6-20)37-30(36-26)23-15-35-39(17-23)18-32(2,3)41/h5-10,13-17,27,29,34,41H,11-12,18H2,1-4H3/t27?,29-/m0/s1.

What are the key properties of 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 568.65 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2S)-3-(4-fluorophenyl)morpholin-2-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 175266780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).