1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane

C94H114N18O7 — CID 163524876

About 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane

1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane (PubChem CID 163524876) has the molecular formula C94H114N18O7 and a molecular weight of 1608.06 g/mol. Its IUPAC name is 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane.

Molecular Properties

• Compound Name: 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane
• PubChem CID: 163524876
• Molecular Formula: C94H114N18O7
• Molecular Weight: 1608.06 g/mol
• Exact Mass: 1606.91
• IUPAC Name: 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane
• SMILES: C.C.C.CN(CCCCCCC(=O)CO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCCCCCC(=O)COC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCCCCCC(=O)O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1
• InChI: InChI=1S/C34H40N6O3.C29H32N6O2.C28H30N6O2.3CH4/c1-39(17-6-3-2-4-8-30(41)24-43-32-9-5-7-19-42-32)29-14-12-28(13-15-29)37-33-34-36-16-18-40(34)23-31(38-33)25-10-11-26-21-35-22-27(26)20-25;1-34(14-5-3-2-4-6-26(37)20-36)25-11-9-24(10-12-25)32-28-29-31-13-15-35(29)19-27(33-28)21-7-8-22-17-30-18-23(22)16-21;1-33(14-5-3-2-4-6-26(35)36)24-11-9-23(10-12-24)31-27-28-30-13-15-34(28)19-25(32-27)20-7-8-21-17-29-18-22(21)16-20;;;/h10-16,18,20-21,23,32H,2-9,17,19,22,24H2,1H3,(H,37,38);7-13,15-17,19,36H,2-6,14,18,20H2,1H3,(H,32,33);7-13,15-17,19H,2-6,14,18H2,1H3,(H,31,32)(H,35,36);3*1H4
• InChIKey: DNWYCHNCHMGYLQ-UHFFFAOYSA-N
• XLogP: 19.04
• TPSA: 283.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.06
LogP ≤ 5	19.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane?

The IUPAC name of 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane (CID 163524876) is 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane.

What is the SMILES notation for 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane?

The canonical SMILES for 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane is C.C.C.CN(CCCCCCC(=O)CO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCCCCCC(=O)COC1CCCCO1)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.CN(CCCCCCC(=O)O)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.

What is the InChIKey of 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane?

The InChIKey is DNWYCHNCHMGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O3.C29H32N6O2.C28H30N6O2.3CH4/c1-39(17-6-3-2-4-8-30(41)24-43-32-9-5-7-19-42-32)29-14-12-28(13-15-29)37-33-34-36-16-18-40(34)23-31(38-33)25-10-11-26-21-35-22-27(26)20-25;1-34(14-5-3-2-4-6-26(37)20-36)25-11-9-24(10-12-25)32-28-29-31-13-15-35(29)19-27(33-28)21-7-8-22-17-30-18-23(22)16-21;1-33(14-5-3-2-4-6-26(35)36)24-11-9-23(10-12-24)31-27-28-30-13-15-34(28)19-25(32-27)20-7-8-21-17-29-18-22(21)16-20;;;/h10-16,18,20-21,23,32H,2-9,17,19,22,24H2,1H3,(H,37,38);7-13,15-17,19,36H,2-6,14,18,20H2,1H3,(H,32,33);7-13,15-17,19H,2-6,14,18H2,1H3,(H,31,32)(H,35,36);3*1H4.

What are the key properties of 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane?

1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane has a molecular weight of 1608.06 g/mol, XLogP of 19.04, 37 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]heptanoic acid;8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]-1-(oxan-2-yloxy)octan-2-one;methane is sourced from PubChem (CID 163524876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).