1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol

C18H28F3N3O3 — CID 128973336

About 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol

1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol (PubChem CID 128973336) has the molecular formula C18H28F3N3O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol
• PubChem CID: 128973336
• Molecular Formula: C18H28F3N3O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.21
• IUPAC Name: 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol
• SMILES: CN(CC(O)COC1CCOCC1)CC1CCc2nc(C(F)(F)F)cn2C1
• InChI: InChI=1S/C18H28F3N3O3/c1-23(10-14(25)12-27-15-4-6-26-7-5-15)8-13-2-3-17-22-16(18(19,20)21)11-24(17)9-13/h11,13-15,25H,2-10,12H2,1H3
• InChIKey: OHOKZHZCXLJKFM-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol?

The IUPAC name of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol (CID 128973336) is 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol.

What is the SMILES notation for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol?

The canonical SMILES for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol is CN(CC(O)COC1CCOCC1)CC1CCc2nc(C(F)(F)F)cn2C1.

What is the InChIKey of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol?

The InChIKey is OHOKZHZCXLJKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N3O3/c1-23(10-14(25)12-27-15-4-6-26-7-5-15)8-13-2-3-17-22-16(18(19,20)21)11-24(17)9-13/h11,13-15,25H,2-10,12H2,1H3.

What are the key properties of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol?

1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol has a molecular weight of 391.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-(oxan-4-yloxy)propan-2-ol is sourced from PubChem (CID 128973336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).