N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane

C68H76N20O7 — CID 158406189

About N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane

N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane (PubChem CID 158406189) has the molecular formula C68H76N20O7 and a molecular weight of 1285.49 g/mol. Its IUPAC name is N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane.

Molecular Properties

• Compound Name: N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane
• PubChem CID: 158406189
• Molecular Formula: C68H76N20O7
• Molecular Weight: 1285.49 g/mol
• Exact Mass: 1284.62
• IUPAC Name: N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane
• SMILES: C1CCOC1.CN(CCN(C)c1ncc(C(=O)NO)cn1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCN(C)c1ncc(C(=O)NOC2CCCCO2)cn1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CO
• InChI: InChI=1S/C34H36N10O3.C29H28N10O2.C4H8O.CH4O/c1-42(14-15-43(2)34-37-20-26(21-38-34)33(45)41-47-30-5-3-4-16-46-30)28-10-8-27(9-11-28)39-31-32-36-12-13-44(32)22-29(40-31)23-6-7-24-18-35-19-25(24)17-23;1-37(11-12-38(2)29-32-16-22(17-33-29)28(40)36-41)24-7-5-23(6-8-24)34-26-27-31-9-10-39(27)18-25(35-26)19-3-4-20-14-30-15-21(20)13-19;1-2-4-5-3-1;1-2/h6-13,17-18,20-22,30H,3-5,14-16,19H2,1-2H3,(H,39,40)(H,41,45);3-10,13-14,16-18,41H,11-12,15H2,1-2H3,(H,34,35)(H,36,40);1-4H2;2H,1H3
• InChIKey: GYSNEZOLQPZNCC-UHFFFAOYSA-N
• XLogP: 8.58
• TPSA: 300.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1285.49
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', '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-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane?

The IUPAC name of N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane (CID 158406189) is N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane.

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

The canonical SMILES for N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane is C1CCOC1.CN(CCN(C)c1ncc(C(=O)NO)cn1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCN(C)c1ncc(C(=O)NOC2CCCCO2)cn1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CO.

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

The InChIKey is GYSNEZOLQPZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N10O3.C29H28N10O2.C4H8O.CH4O/c1-42(14-15-43(2)34-37-20-26(21-38-34)33(45)41-47-30-5-3-4-16-46-30)28-10-8-27(9-11-28)39-31-32-36-12-13-44(32)22-29(40-31)23-6-7-24-18-35-19-25(24)17-23;1-37(11-12-38(2)29-32-16-22(17-33-29)28(40)36-41)24-7-5-23(6-8-24)34-26-27-31-9-10-39(27)18-25(35-26)19-3-4-20-14-30-15-21(20)13-19;1-2-4-5-3-1;1-2/h6-13,17-18,20-22,30H,3-5,14-16,19H2,1-2H3,(H,39,40)(H,41,45);3-10,13-14,16-18,41H,11-12,15H2,1-2H3,(H,34,35)(H,36,40);1-4H2;2H,1H3.

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

N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane has a molecular weight of 1285.49 g/mol, XLogP of 8.58, 20 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]pyrimidine-5-carboxamide;2-[2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethyl-methylamino]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide;methanol;oxolane is sourced from PubChem (CID 158406189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).