3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide

C26H17F2N5O2 — CID 22724214

About 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide

3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide (PubChem CID 22724214) has the molecular formula C26H17F2N5O2 and a molecular weight of 469.45 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide
• PubChem CID: 22724214
• Molecular Formula: C26H17F2N5O2
• Molecular Weight: 469.45 g/mol
• Exact Mass: 469.14
• IUPAC Name: 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide
• SMILES: O=C(Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1)c1cc(F)cc(F)c1
• InChI: InChI=1S/C26H17F2N5O2/c27-18-11-17(12-19(28)13-18)25(34)31-20-5-1-6-21(14-20)33-24-22(7-3-9-30-24)32-23(26(33)35)10-16-4-2-8-29-15-16/h1-9,11-15H,10H2,(H,31,34)
• InChIKey: USDINXZNNHEOFD-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.45
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide?

The IUPAC name of 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide (CID 22724214) is 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide.

What is the SMILES notation for 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide?

The canonical SMILES for 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide is O=C(Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1)c1cc(F)cc(F)c1.

What is the InChIKey of 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide?

The InChIKey is USDINXZNNHEOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N5O2/c27-18-11-17(12-19(28)13-18)25(34)31-20-5-1-6-21(14-20)33-24-22(7-3-9-30-24)32-23(26(33)35)10-16-4-2-8-29-15-16/h1-9,11-15H,10H2,(H,31,34).

What are the key properties of 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide?

3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide has a molecular weight of 469.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]benzamide is sourced from PubChem (CID 22724214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).