N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide

C23H27N7O3 — CID 153322710

About N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide

N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide (PubChem CID 153322710) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide
• PubChem CID: 153322710
• Molecular Formula: C23H27N7O3
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.22
• IUPAC Name: N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide
• SMILES: COc1ccc(C2CC2NCc2cn3c(n2)CN(c2ncc(CC(=O)NO)cn2)CC3)cc1
• InChI: InChI=1S/C23H27N7O3/c1-33-18-4-2-16(3-5-18)19-9-20(19)24-12-17-13-29-6-7-30(14-21(29)27-17)23-25-10-15(11-26-23)8-22(31)28-32/h2-5,10-11,13,19-20,24,32H,6-9,12,14H2,1H3,(H,28,31)
• InChIKey: XSUZTCUUAJXYDZ-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 117.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide?

The IUPAC name of N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide (CID 153322710) is N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide.

What is the SMILES notation for N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide?

The canonical SMILES for N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide is COc1ccc(C2CC2NCc2cn3c(n2)CN(c2ncc(CC(=O)NO)cn2)CC3)cc1.

What is the InChIKey of N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide?

The InChIKey is XSUZTCUUAJXYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-33-18-4-2-16(3-5-18)19-9-20(19)24-12-17-13-29-6-7-30(14-21(29)27-17)23-25-10-15(11-26-23)8-22(31)28-32/h2-5,10-11,13,19-20,24,32H,6-9,12,14H2,1H3,(H,28,31).

What are the key properties of N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide?

N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide has a molecular weight of 449.52 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 153322710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).