4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide

C21H17FN6O — CID 138590649

About 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide

4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide (PubChem CID 138590649) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide
• PubChem CID: 138590649
• Molecular Formula: C21H17FN6O
• Molecular Weight: 388.41 g/mol
• Exact Mass: 388.14
• IUPAC Name: 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide
• SMILES: O=C(Nc1cc2cc(-c3cnn4c3CNCC4)ncc2cn1)c1ccc(F)cc1
• InChI: InChI=1S/C21H17FN6O/c22-16-3-1-13(2-4-16)21(29)27-20-8-14-7-18(24-9-15(14)10-25-20)17-11-26-28-6-5-23-12-19(17)28/h1-4,7-11,23H,5-6,12H2,(H,25,27,29)
• InChIKey: WGGDFUHYJJZVQW-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.41
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide?

The IUPAC name of 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide (CID 138590649) is 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide is O=C(Nc1cc2cc(-c3cnn4c3CNCC4)ncc2cn1)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide?

The InChIKey is WGGDFUHYJJZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-16-3-1-13(2-4-16)21(29)27-20-8-14-7-18(24-9-15(14)10-25-20)17-11-26-28-6-5-23-12-19(17)28/h1-4,7-11,23H,5-6,12H2,(H,25,27,29).

What are the key properties of 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide?

4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide has a molecular weight of 388.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]benzamide is sourced from PubChem (CID 138590649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).