N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C22H25N5O3 — CID 57381220

About N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57381220) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 57381220
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCCO4)nccn23)cc1O
• InChI: InChI=1S/C22H25N5O3/c28-19-11-14(4-7-17(19)22(29)26-15-5-6-15)18-13-25-21-20(23-8-9-27(18)21)24-12-16-3-1-2-10-30-16/h4,7-9,11,13,15-16,28H,1-3,5-6,10,12H2,(H,23,24)(H,26,29)
• InChIKey: VJBZVSQIXFYJIP-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 100.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57381220) is N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCCO4)nccn23)cc1O.

What is the InChIKey of N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is VJBZVSQIXFYJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-19-11-14(4-7-17(19)22(29)26-15-5-6-15)18-13-25-21-20(23-8-9-27(18)21)24-12-16-3-1-2-10-30-16/h4,7-9,11,13,15-16,28H,1-3,5-6,10,12H2,(H,23,24)(H,26,29).

What are the key properties of N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57381220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).