1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea

C26H19F4N5O3 — CID 90082834

About 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea

1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea (PubChem CID 90082834) has the molecular formula C26H19F4N5O3 and a molecular weight of 525.46 g/mol. Its IUPAC name is 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea.

Molecular Properties

• Compound Name: 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea
• PubChem CID: 90082834
• Molecular Formula: C26H19F4N5O3
• Molecular Weight: 525.46 g/mol
• Exact Mass: 525.14
• IUPAC Name: 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea
• SMILES: O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)cc(C(=O)c2cc3cc(N4CCOCC4)cnc3cn2)c1F
• InChI: InChI=1S/C26H19F4N5O3/c27-15-9-18(24(30)21(10-15)34-26(37)33-16-1-2-19(28)20(29)11-16)25(36)22-8-14-7-17(12-31-23(14)13-32-22)35-3-5-38-6-4-35/h1-2,7-13H,3-6H2,(H2,33,34,37)
• InChIKey: MWSBQHPYFTYHID-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.46
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea?

The IUPAC name of 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea (CID 90082834) is 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea.

What is the SMILES notation for 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea?

The canonical SMILES for 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea is O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)cc(C(=O)c2cc3cc(N4CCOCC4)cnc3cn2)c1F.

What is the InChIKey of 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea?

The InChIKey is MWSBQHPYFTYHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O3/c27-15-9-18(24(30)21(10-15)34-26(37)33-16-1-2-19(28)20(29)11-16)25(36)22-8-14-7-17(12-31-23(14)13-32-22)35-3-5-38-6-4-35/h1-2,7-13H,3-6H2,(H2,33,34,37).

What are the key properties of 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea?

1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea has a molecular weight of 525.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,5-difluoro-3-(3-morpholin-4-yl-1,7-naphthyridine-6-carbonyl)phenyl]-3-(3,4-difluorophenyl)urea is sourced from PubChem (CID 90082834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).