N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C28H31N5O4 — CID 67973299

About N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67973299) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 67973299
• Molecular Formula: C28H31N5O4
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.24
• IUPAC Name: N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: O=C(NC1CC1)c1ccc(-c2cnc3c(NCCCOC[C@H](O)CO)nc(-c4ccccc4)cn23)cc1
• InChI: InChI=1S/C28H31N5O4/c34-17-23(35)18-37-14-4-13-29-26-27-30-15-25(33(27)16-24(32-26)19-5-2-1-3-6-19)20-7-9-21(10-8-20)28(36)31-22-11-12-22/h1-3,5-10,15-16,22-23,34-35H,4,11-14,17-18H2,(H,29,32)(H,31,36)/t23-/m1/s1
• InChIKey: ZNLONLPWYGFXNE-HSZRJFAPSA-N
• XLogP: 3.13
• TPSA: 121.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67973299) is N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCCCOC[C@H](O)CO)nc(-c4ccccc4)cn23)cc1.

What is the InChIKey of N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is ZNLONLPWYGFXNE-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H31N5O4/c34-17-23(35)18-37-14-4-13-29-26-27-30-15-25(33(27)16-24(32-26)19-5-2-1-3-6-19)20-7-9-21(10-8-20)28(36)31-22-11-12-22/h1-3,5-10,15-16,22-23,34-35H,4,11-14,17-18H2,(H,29,32)(H,31,36)/t23-/m1/s1.

What are the key properties of N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?

N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 501.59 g/mol, XLogP of 3.13, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67973299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).