N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide

C57H62N14O7 — CID 160559886

About N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide

N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide (PubChem CID 160559886) has the molecular formula C57H62N14O7 and a molecular weight of 1055.21 g/mol. Its IUPAC name is N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide.

Molecular Properties

• Compound Name: N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide
• PubChem CID: 160559886
• Molecular Formula: C57H62N14O7
• Molecular Weight: 1055.21 g/mol
• Exact Mass: 1054.49
• IUPAC Name: N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide
• SMILES: CN(CCOCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)NOC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1
• InChI: InChI=1S/C31H35N7O4.C26H27N7O3/c1-37(14-17-40-16-11-28(39)36-42-29-4-2-3-15-41-29)26-9-7-25(8-10-26)34-30-31-33-12-13-38(31)21-27(35-30)22-5-6-23-19-32-20-24(23)18-22;1-32(11-13-36-12-8-24(34)31-35)22-6-4-21(5-7-22)29-25-26-28-9-10-33(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18/h5-10,12-13,18-19,21,29H,2-4,11,14-17,20H2,1H3,(H,34,35)(H,36,39);2-7,9-10,14-15,17,35H,8,11-13,16H2,1H3,(H,29,30)(H,31,34)
• InChIKey: QZDYRTJNZORUHP-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 230.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.21
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide?

The IUPAC name of N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide (CID 160559886) is N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide.

What is the SMILES notation for N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide?

The canonical SMILES for N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide is CN(CCOCCC(=O)NO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCOCCC(=O)NOC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.

What is the InChIKey of N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide?

The InChIKey is QZDYRTJNZORUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4.C26H27N7O3/c1-37(14-17-40-16-11-28(39)36-42-29-4-2-3-15-41-29)26-9-7-25(8-10-26)34-30-31-33-12-13-38(31)21-27(35-30)22-5-6-23-19-32-20-24(23)18-22;1-32(11-13-36-12-8-24(34)31-35)22-6-4-21(5-7-22)29-25-26-28-9-10-33(26)17-23(30-25)18-2-3-19-15-27-16-20(19)14-18/h5-10,12-13,18-19,21,29H,2-4,11,14-17,20H2,1H3,(H,34,35)(H,36,39);2-7,9-10,14-15,17,35H,8,11-13,16H2,1H3,(H,29,30)(H,31,34).

What are the key properties of N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide?

N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide has a molecular weight of 1055.21 g/mol, XLogP of 7.91, 22 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]propanamide;3-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethoxy]-N-(oxan-2-yloxy)propanamide is sourced from PubChem (CID 160559886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).