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

C28H24F3N5O2 — CID 89099581

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

N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline (PubChem CID 89099581) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline
• PubChem CID: 89099581
• Molecular Formula: C28H24F3N5O2
• Molecular Weight: 519.53 g/mol
• Exact Mass: 519.19
• IUPAC Name: N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline
• SMILES: COc1ccc(-c2ccn3c(-c4ccc(CNCONc5cccc(C(F)(F)F)c5)cc4)cnc3c2)cn1
• InChI: InChI=1S/C28H24F3N5O2/c1-37-27-10-9-22(16-34-27)21-11-12-36-25(17-33-26(36)13-21)20-7-5-19(6-8-20)15-32-18-38-35-24-4-2-3-23(14-24)28(29,30)31/h2-14,16-17,32,35H,15,18H2,1H3
• InChIKey: FQVQYLCPKWNQMO-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 72.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.53
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline (CID 89099581) is N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline.

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

The canonical SMILES for N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline is COc1ccc(-c2ccn3c(-c4ccc(CNCONc5cccc(C(F)(F)F)c5)cc4)cnc3c2)cn1.

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

The InChIKey is FQVQYLCPKWNQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-37-27-10-9-22(16-34-27)21-11-12-36-25(17-33-26(36)13-21)20-7-5-19(6-8-20)15-32-18-38-35-24-4-2-3-23(14-24)28(29,30)31/h2-14,16-17,32,35H,15,18H2,1H3.

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

N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline has a molecular weight of 519.53 g/mol, XLogP of 6.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[[4-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 89099581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).