[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C25H25ClN6O3 — CID 137362142

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 137362142) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

• Compound Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
• PubChem CID: 137362142
• Molecular Formula: C25H25ClN6O3
• Molecular Weight: 492.97 g/mol
• Exact Mass: 492.17
• IUPAC Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
• SMILES: Cc1nonc1C(=O)N1C2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC1COC2
• InChI: InChI=1S/C25H25ClN6O3/c1-16-23(29-35-28-16)25(33)32-19-9-11-30(12-20(32)15-34-14-19)13-21-24(17-5-7-18(26)8-6-17)27-22-4-2-3-10-31(21)22/h2-8,10,19-20H,9,11-15H2,1H3
• InChIKey: VXPWRCPIZSFFFR-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 89.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.97
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?

The IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 137362142) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

What is the SMILES notation for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?

The canonical SMILES for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1C2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC1COC2.

What is the InChIKey of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?

The InChIKey is VXPWRCPIZSFFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-16-23(29-35-28-16)25(33)32-19-9-11-30(12-20(32)15-34-14-19)13-21-24(17-5-7-18(26)8-6-17)27-22-4-2-3-10-31(21)22/h2-8,10,19-20H,9,11-15H2,1H3.

What are the key properties of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 492.97 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 137362142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).