(4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane

C26H26F2N2O3 — CID 160857855

About (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane

(4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane (PubChem CID 160857855) has the molecular formula C26H26F2N2O3 and a molecular weight of 452.50 g/mol. Its IUPAC name is (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane.

Molecular Properties

• Compound Name: (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane
• PubChem CID: 160857855
• Molecular Formula: C26H26F2N2O3
• Molecular Weight: 452.50 g/mol
• Exact Mass: 452.19
• IUPAC Name: (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane
• SMILES: C.Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC[C@H](O)c1ccccc1
• InChI: InChI=1S/C25H22F2N2O3.CH4/c1-16-24(22(31)13-12-21(30)17-7-3-2-4-8-17)29-14-6-11-23(25(29)28-16)32-15-18-19(26)9-5-10-20(18)27;/h2-11,14,21,30H,12-13,15H2,1H3;1H4/t21-;/m0./s1
• InChIKey: SKCCYDAHKVRPJF-BOXHHOBZSA-N
• XLogP: 5.83
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.50
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane?

The IUPAC name of (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane (CID 160857855) is (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane.

What is the SMILES notation for (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane?

The canonical SMILES for (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane is C.Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC[C@H](O)c1ccccc1.

What is the InChIKey of (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane?

The InChIKey is SKCCYDAHKVRPJF-BOXHHOBZSA-N. The full InChI is InChI=1S/C25H22F2N2O3.CH4/c1-16-24(22(31)13-12-21(30)17-7-3-2-4-8-17)29-14-6-11-23(25(29)28-16)32-15-18-19(26)9-5-10-20(18)27;/h2-11,14,21,30H,12-13,15H2,1H3;1H4/t21-;/m0./s1.

What are the key properties of (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane?

(4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane has a molecular weight of 452.50 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-4-phenylbutan-1-one;methane is sourced from PubChem (CID 160857855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).