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

C25H29FN6O — CID 162008513

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

(2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 162008513) has the molecular formula C25H29FN6O and a molecular weight of 448.55 g/mol. Its IUPAC name is (2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

• Compound Name: (2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• PubChem CID: 162008513
• Molecular Formula: C25H29FN6O
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.24
• IUPAC Name: (2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
• SMILES: CC[C@H]1C(=O)Nc2c(cc(CCc3cnn(Cc4cnc(C5CC5)c(F)c4)c3)nc2C)N1C
• InChI: InChI=1S/C25H29FN6O/c1-4-21-25(33)30-23-15(2)29-19(10-22(23)31(21)3)8-5-16-12-28-32(13-16)14-17-9-20(26)24(27-11-17)18-6-7-18/h9-13,18,21H,4-8,14H2,1-3H3,(H,30,33)/t21-/m0/s1
• InChIKey: LWAFXCJZJSSUNJ-NRFANRHFSA-N
• XLogP: 4.00
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 162008513) is (2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

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

The canonical SMILES for (2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is CC[C@H]1C(=O)Nc2c(cc(CCc3cnn(Cc4cnc(C5CC5)c(F)c4)c3)nc2C)N1C.

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

The InChIKey is LWAFXCJZJSSUNJ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29FN6O/c1-4-21-25(33)30-23-15(2)29-19(10-22(23)31(21)3)8-5-16-12-28-32(13-16)14-17-9-20(26)24(27-11-17)18-6-7-18/h9-13,18,21H,4-8,14H2,1-3H3,(H,30,33)/t21-/m0/s1.

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

(2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 448.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 162008513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).