(2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C24H27F3N6O2 — CID 167619523

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

(2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 167619523) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

• Compound Name: (2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• PubChem CID: 167619523
• Molecular Formula: C24H27F3N6O2
• Molecular Weight: 488.51 g/mol
• Exact Mass: 488.21
• IUPAC Name: (2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• SMILES: CO[C@H](C)[C@H]1C(=O)Nc2c(cc(CCc3cnn(Cc4ccc(C(F)(F)F)nc4)c3)nc2C)N1C
• InChI: InChI=1S/C24H27F3N6O2/c1-14-21-19(32(3)22(15(2)35-4)23(34)31-21)9-18(30-14)7-5-17-11-29-33(13-17)12-16-6-8-20(28-10-16)24(25,26)27/h6,8-11,13,15,22H,5,7,12H2,1-4H3,(H,31,34)/t15-,22+/m1/s1
• InChIKey: IFULXJVDOBHOHH-QRQCRPRQSA-N
• XLogP: 3.63
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.51
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 167619523) is (2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

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

The canonical SMILES for (2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is CO[C@H](C)[C@H]1C(=O)Nc2c(cc(CCc3cnn(Cc4ccc(C(F)(F)F)nc4)c3)nc2C)N1C.

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

The InChIKey is IFULXJVDOBHOHH-QRQCRPRQSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-14-21-19(32(3)22(15(2)35-4)23(34)31-21)9-18(30-14)7-5-17-11-29-33(13-17)12-16-6-8-20(28-10-16)24(25,26)27/h6,8-11,13,15,22H,5,7,12H2,1-4H3,(H,31,34)/t15-,22+/m1/s1.

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

(2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 488.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 167619523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).