2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C25H28ClN5O3 — CID 57379866

About 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide

2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57379866) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 57379866
• Molecular Formula: C25H28ClN5O3
• Molecular Weight: 481.98 g/mol
• Exact Mass: 481.19
• IUPAC Name: 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: CC(C)(O)CNc1nc(C2=CCOCC2)cn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12
• InChI: InChI=1S/C25H28ClN5O3/c1-25(2,33)14-28-22-23-27-12-21(31(23)13-20(30-22)15-7-9-34-10-8-15)16-3-6-18(19(26)11-16)24(32)29-17-4-5-17/h3,6-7,11-13,17,33H,4-5,8-10,14H2,1-2H3,(H,28,30)(H,29,32)
• InChIKey: HCLXMHVFVDHJOY-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 100.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.98
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57379866) is 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)(O)CNc1nc(C2=CCOCC2)cn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.

What is the InChIKey of 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is HCLXMHVFVDHJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c1-25(2,33)14-28-22-23-27-12-21(31(23)13-20(30-22)15-7-9-34-10-8-15)16-3-6-18(19(26)11-16)24(32)29-17-4-5-17/h3,6-7,11-13,17,33H,4-5,8-10,14H2,1-2H3,(H,28,30)(H,29,32).

What are the key properties of 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 481.98 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57379866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).