1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea

C25H19F3N6O3 — CID 90080431

About 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea

1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea (PubChem CID 90080431) has the molecular formula C25H19F3N6O3 and a molecular weight of 508.46 g/mol. Its IUPAC name is 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

• Compound Name: 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea
• PubChem CID: 90080431
• Molecular Formula: C25H19F3N6O3
• Molecular Weight: 508.46 g/mol
• Exact Mass: 508.15
• IUPAC Name: 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea
• SMILES: O=C(Nc1cccc(F)c1)Nc1cc(F)c(F)c(C(=O)c2cc3nc(N4CCOCC4)cnc3cn2)c1
• InChI: InChI=1S/C25H19F3N6O3/c26-14-2-1-3-15(8-14)31-25(36)32-16-9-17(23(28)18(27)10-16)24(35)20-11-19-21(12-29-20)30-13-22(33-19)34-4-6-37-7-5-34/h1-3,8-13H,4-7H2,(H2,31,32,36)
• InChIKey: GSVGRSQZZOVHEQ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 109.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.46
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea?

The IUPAC name of 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea (CID 90080431) is 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea.

What is the SMILES notation for 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea?

The canonical SMILES for 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1cc(F)c(F)c(C(=O)c2cc3nc(N4CCOCC4)cnc3cn2)c1.

What is the InChIKey of 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea?

The InChIKey is GSVGRSQZZOVHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O3/c26-14-2-1-3-15(8-14)31-25(36)32-16-9-17(23(28)18(27)10-16)24(35)20-11-19-21(12-29-20)30-13-22(33-19)34-4-6-37-7-5-34/h1-3,8-13H,4-7H2,(H2,31,32,36).

What are the key properties of 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea?

1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 508.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 90080431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).