1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

C28H20F4N4O2 — CID 70973555

About 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (PubChem CID 70973555) has the molecular formula C28H20F4N4O2 and a molecular weight of 520.49 g/mol. Its IUPAC name is 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
• PubChem CID: 70973555
• Molecular Formula: C28H20F4N4O2
• Molecular Weight: 520.49 g/mol
• Exact Mass: 520.15
• IUPAC Name: 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
• SMILES: Cc1cccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)coc23)c1
• InChI: InChI=1S/C28H20F4N4O2/c1-15-3-2-4-17(11-15)20-13-34-26(33)24-21(14-38-25(20)24)16-5-8-19(9-6-16)35-27(37)36-23-12-18(28(30,31)32)7-10-22(23)29/h2-14H,1H3,(H2,33,34)(H2,35,36,37)
• InChIKey: MBBSTSURZXCDJX-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 93.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.49
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (CID 70973555) is 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is Cc1cccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)coc23)c1.

What is the InChIKey of 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?

The InChIKey is MBBSTSURZXCDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N4O2/c1-15-3-2-4-17(11-15)20-13-34-26(33)24-21(14-38-25(20)24)16-5-8-19(9-6-16)35-27(37)36-23-12-18(28(30,31)32)7-10-22(23)29/h2-14H,1H3,(H2,33,34)(H2,35,36,37).

What are the key properties of 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?

1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 520.49 g/mol, XLogP of 7.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 70973555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).