(4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one

C23H19ClF2N4O3 — CID 160710422

About (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one

(4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one (PubChem CID 160710422) has the molecular formula C23H19ClF2N4O3 and a molecular weight of 472.88 g/mol. Its IUPAC name is (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one.

Molecular Properties

• Compound Name: (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one
• PubChem CID: 160710422
• Molecular Formula: C23H19ClF2N4O3
• Molecular Weight: 472.88 g/mol
• Exact Mass: 472.11
• IUPAC Name: (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one
• SMILES: Cc1cc(Cl)c2nc(-c3nc(-c4ccc(OC[C@H]5CC(=O)C(F)(F)C5)c(C)c4)no3)cn2c1
• InChI: InChI=1S/C23H19ClF2N4O3/c1-12-5-16(24)21-27-17(10-30(21)9-12)22-28-20(29-33-22)15-3-4-18(13(2)6-15)32-11-14-7-19(31)23(25,26)8-14/h3-6,9-10,14H,7-8,11H2,1-2H3/t14-/m0/s1
• InChIKey: RRUAWRVYZSCVTD-AWEZNQCLSA-N
• XLogP: 5.31
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.88
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one?

The IUPAC name of (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one (CID 160710422) is (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one.

What is the SMILES notation for (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one?

The canonical SMILES for (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one is Cc1cc(Cl)c2nc(-c3nc(-c4ccc(OC[C@H]5CC(=O)C(F)(F)C5)c(C)c4)no3)cn2c1.

What is the InChIKey of (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one?

The InChIKey is RRUAWRVYZSCVTD-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19ClF2N4O3/c1-12-5-16(24)21-27-17(10-30(21)9-12)22-28-20(29-33-22)15-3-4-18(13(2)6-15)32-11-14-7-19(31)23(25,26)8-14/h3-6,9-10,14H,7-8,11H2,1-2H3/t14-/m0/s1.

What are the key properties of (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one?

(4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one has a molecular weight of 472.88 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[4-[5-(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenoxy]methyl]-2,2-difluorocyclopentan-1-one is sourced from PubChem (CID 160710422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).