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

C₂₉H₂₇FN₆O₃ — CID 146982338

About 8-[4-[3-[3-tert-butyl-1-(6-methyl-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-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 146982338) has the molecular formula C₂₉H₂₇FN₆O₃ and a molecular weight of 526.57 g/mol. Its IUPAC name is 8-[4-[3-[3-tert-butyl-1-(6-methyl-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-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
• PubChem CID: 146982338
• Molecular Formula: C₂₉H₂₇FN₆O₃
• Molecular Weight: 526.57 g/mol
• Exact Mass: 526.21
• IUPAC Name: 8-[4-[3-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2CC(=O)Cc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)cn1
• InChI: InChI=1S/C29H27FN6O3/c1-17-5-7-19(15-32-17)36-20(13-25(35-36)29(2,3)4)12-21(37)11-18-6-8-22(14-23(18)30)39-24-9-10-31-28-27(24)33-16-26(38)34-28/h5-10,13-16H,11-12H2,1-4H3,(H,31,34,38)
• InChIKey: AOOFOXUROSXXEY-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 115.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.57
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[3-tert-butyl-1-(6-methyl-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-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (CID 146982338) is 8-[4-[3-[3-tert-butyl-1-(6-methyl-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-methyl-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-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is Cc1ccc(-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-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

The InChIKey is AOOFOXUROSXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O3/c1-17-5-7-19(15-32-17)36-20(13-25(35-36)29(2,3)4)12-21(37)11-18-6-8-22(14-23(18)30)39-24-9-10-31-28-27(24)33-16-26(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-methyl-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-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 526.57 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[3-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 146982338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146982338 — identifiers, structure, computed properties (public domain)

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