N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

C30H31F3N4O3 — CID 4138583

About N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4138583) has the molecular formula C30H31F3N4O3 and a molecular weight of 552.60 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 4138583
• Molecular Formula: C30H31F3N4O3
• Molecular Weight: 552.60 g/mol
• Exact Mass: 552.23
• IUPAC Name: N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
• SMILES: O=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2c(OCc3ccccc3)cccn12)NCCN1CCOCC1
• InChI: InChI=1S/C30H31F3N4O3/c31-30(32,33)24-9-4-8-23(18-24)25(19-28(38)34-11-13-36-14-16-39-17-15-36)26-20-35-29-27(10-5-12-37(26)29)40-21-22-6-2-1-3-7-22/h1-10,12,18,20,25H,11,13-17,19,21H2,(H,34,38)
• InChIKey: UKXMJEQBOPTXCW-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.60
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 4138583) is N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is O=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2c(OCc3ccccc3)cccn12)NCCN1CCOCC1.

What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The InChIKey is UKXMJEQBOPTXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4O3/c31-30(32,33)24-9-4-8-23(18-24)25(19-28(38)34-11-13-36-14-16-39-17-15-36)26-20-35-29-27(10-5-12-37(26)29)40-21-22-6-2-1-3-7-22/h1-10,12,18,20,25H,11,13-17,19,21H2,(H,34,38).

What are the key properties of N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 552.60 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4138583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).