ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate

C25H24F2N6O3 — CID 136634892

About ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate

ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate (PubChem CID 136634892) has the molecular formula C25H24F2N6O3 and a molecular weight of 494.50 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
• PubChem CID: 136634892
• Molecular Formula: C25H24F2N6O3
• Molecular Weight: 494.50 g/mol
• Exact Mass: 494.19
• IUPAC Name: ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate
• SMILES: CCOC(=O)C(C)(CC1CC1)c1nnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)[nH]c1=O
• InChI: InChI=1S/C25H24F2N6O3/c1-3-36-24(35)25(2,11-14-8-9-14)20-23(34)29-21(31-30-20)19-17-10-16(26)12-28-22(17)33(32-19)13-15-6-4-5-7-18(15)27/h4-7,10,12,14H,3,8-9,11,13H2,1-2H3,(H,29,31,34)
• InChIKey: QMAFWERTNVGSEJ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 115.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.50
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

The IUPAC name of ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate (CID 136634892) is ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate.

What is the SMILES notation for ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

The canonical SMILES for ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate is CCOC(=O)C(C)(CC1CC1)c1nnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)[nH]c1=O.

What is the InChIKey of ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

The InChIKey is QMAFWERTNVGSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O3/c1-3-36-24(35)25(2,11-14-8-9-14)20-23(34)29-21(31-30-20)19-17-10-16(26)12-28-22(17)33(32-19)13-15-6-4-5-7-18(15)27/h4-7,10,12,14H,3,8-9,11,13H2,1-2H3,(H,29,31,34).

What are the key properties of ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate?

ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate has a molecular weight of 494.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-cyclopropyl-2-[3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-oxo-4H-1,2,4-triazin-6-yl]-2-methylpropanoate is sourced from PubChem (CID 136634892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).