(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one

C22H24F2N2O3 — CID 147859544

About (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one

(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one (PubChem CID 147859544) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one.

Molecular Properties

• Compound Name: (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
• PubChem CID: 147859544
• Molecular Formula: C22H24F2N2O3
• Molecular Weight: 402.44 g/mol
• Exact Mass: 402.18
• IUPAC Name: (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
• SMILES: CCC[C@H](CO)CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12
• InChI: InChI=1S/C22H24F2N2O3/c1-3-6-15(12-27)11-19(28)21-14(2)25-22-20(9-5-10-26(21)22)29-13-16-17(23)7-4-8-18(16)24/h4-5,7-10,15,27H,3,6,11-13H2,1-2H3/t15-/m0/s1
• InChIKey: HWKFKANTZZBBNU-HNNXBMFYSA-N
• XLogP: 4.48
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.44
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one?

The IUPAC name of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one (CID 147859544) is (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one.

What is the SMILES notation for (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one?

The canonical SMILES for (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one is CCC[C@H](CO)CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12.

What is the InChIKey of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one?

The InChIKey is HWKFKANTZZBBNU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-3-6-15(12-27)11-19(28)21-14(2)25-22-20(9-5-10-26(21)22)29-13-16-17(23)7-4-8-18(16)24/h4-5,7-10,15,27H,3,6,11-13H2,1-2H3/t15-/m0/s1.

What are the key properties of (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one?

(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one has a molecular weight of 402.44 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one is sourced from PubChem (CID 147859544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).