8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

C₂₉H₂₇FN₆O₄ — CID 147042471

About 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 147042471) has the molecular formula C₂₉H₂₇FN₆O₄ and a molecular weight of 542.57 g/mol. Its IUPAC name is 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
• PubChem CID: 147042471
• Molecular Formula: C₂₉H₂₇FN₆O₄
• Molecular Weight: 542.57 g/mol
• Exact Mass: 542.21
• IUPAC Name: 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
• SMILES: COc1ccc(-n2nc(C(C)(C)C)cc2CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)cn1
• InChI: InChI=1S/C29H27FN6O4/c1-29(2,3)24-13-19(36(35-24)18-6-8-26(39-4)32-15-18)12-20(37)11-17-5-7-21(14-22(17)30)40-23-9-10-31-28-27(23)33-16-25(38)34-28/h5-10,13-16H,11-12H2,1-4H3,(H,31,34,38)
• InChIKey: AZSHFESHRMLPSC-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 124.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.57
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (CID 147042471) is 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is COc1ccc(-n2nc(C(C)(C)C)cc2CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)cn1.

What is the InChIKey of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

The InChIKey is AZSHFESHRMLPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O4/c1-29(2,3)24-13-19(36(35-24)18-6-8-26(39-4)32-15-18)12-20(37)11-17-5-7-21(14-22(17)30)40-23-9-10-31-28-27(23)33-16-25(38)34-28/h5-10,13-16H,11-12H2,1-4H3,(H,31,34,38).

What are the key properties of 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 542.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[3-[3-tert-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 147042471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 147042471 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.