7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one

C23H26F3N7O2 — CID 167569818

About 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one

7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one (PubChem CID 167569818) has the molecular formula C23H26F3N7O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one.

Molecular Properties

• Compound Name: 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one
• PubChem CID: 167569818
• Molecular Formula: C23H26F3N7O2
• Molecular Weight: 489.50 g/mol
• Exact Mass: 489.21
• IUPAC Name: 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one
• SMILES: CO[C@@H](C)C1C(=O)Nc2c(C)nc(CCc3cnn(Cc4ccc(C(F)(F)F)nc4)c3)nc2N1C
• InChI: InChI=1S/C23H26F3N7O2/c1-13-19-21(32(3)20(14(2)35-4)22(34)31-19)30-18(29-13)8-6-16-10-28-33(12-16)11-15-5-7-17(27-9-15)23(24,25)26/h5,7,9-10,12,14,20H,6,8,11H2,1-4H3,(H,31,34)/t14-,20?/m0/s1
• InChIKey: MOCYRTCGNZPTSL-PVCZSOGJSA-N
• XLogP: 3.02
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.50
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

The IUPAC name of 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one (CID 167569818) is 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one.

What is the SMILES notation for 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

The canonical SMILES for 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one is CO[C@@H](C)C1C(=O)Nc2c(C)nc(CCc3cnn(Cc4ccc(C(F)(F)F)nc4)c3)nc2N1C.

What is the InChIKey of 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

The InChIKey is MOCYRTCGNZPTSL-PVCZSOGJSA-N. The full InChI is InChI=1S/C23H26F3N7O2/c1-13-19-21(32(3)20(14(2)35-4)22(34)31-19)30-18(29-13)8-6-16-10-28-33(12-16)11-15-5-7-17(27-9-15)23(24,25)26/h5,7,9-10,12,14,20H,6,8,11H2,1-4H3,(H,31,34)/t14-,20?/m0/s1.

What are the key properties of 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one?

7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one has a molecular weight of 489.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1S)-1-methoxyethyl]-4,8-dimethyl-2-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 167569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).