1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C27H20F3N5O2 — CID 68621756

About 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 68621756) has the molecular formula C27H20F3N5O2 and a molecular weight of 503.48 g/mol. Its IUPAC name is 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 68621756
• Molecular Formula: C27H20F3N5O2
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.16
• IUPAC Name: 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: COc1ccc(-c2ccn3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc3c2)cn1
• InChI: InChI=1S/C27H20F3N5O2/c1-37-25-10-7-19(15-32-25)18-11-12-35-23(16-31-24(35)13-18)17-5-8-21(9-6-17)33-26(36)34-22-4-2-3-20(14-22)27(28,29)30/h2-16H,1H3,(H2,33,34,36)
• InChIKey: QAKCEHKZLNGQAN-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 68621756) is 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is COc1ccc(-c2ccn3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc3c2)cn1.

What is the InChIKey of 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is QAKCEHKZLNGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O2/c1-37-25-10-7-19(15-32-25)18-11-12-35-23(16-31-24(35)13-18)17-5-8-21(9-6-17)33-26(36)34-22-4-2-3-20(14-22)27(28,29)30/h2-16H,1H3,(H2,33,34,36).

What are the key properties of 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?

1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 503.48 g/mol, XLogP of 6.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 68621756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).