N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione

C123H141N27O13 — CID 163665155

About N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione

N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione (PubChem CID 163665155) has the molecular formula C123H141N27O13 and a molecular weight of 2205.66 g/mol. Its IUPAC name is N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione.

Molecular Properties

• Compound Name: N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione
• PubChem CID: 163665155
• Molecular Formula: C123H141N27O13
• Molecular Weight: 2205.66 g/mol
• Exact Mass: 2204.12
• IUPAC Name: N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione
• SMILES: CN(CCCCCCC(=O)CO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.Nc1ccccc1NC(=O)CCCCCCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.O=C(CCCCCCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1)NO.O=C(CO)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1
• InChI: InChI=1S/C36H40N8O3.C30H35N7O4.C29H32N6O2.C28H34N6O4/c37-30-10-4-5-11-31(30)41-33(45)12-3-1-2-6-17-39-36(46)27-9-7-8-26(24-27)32-25-44-19-18-38-35(44)34(42-32)40-28-13-15-29(16-14-28)43-20-22-47-23-21-43;38-27(35-40)8-3-1-2-4-13-32-30(39)23-7-5-6-22(20-23)26-21-37-15-14-31-29(37)28(34-26)33-24-9-11-25(12-10-24)36-16-18-41-19-17-36;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;35-20-24(36)5-1-2-6-26(37)33-12-3-4-21(18-33)25-19-34-13-11-29-28(34)27(31-25)30-22-7-9-23(10-8-22)32-14-16-38-17-15-32/h4-5,7-11,13-16,18-19,24-25H,1-3,6,12,17,20-23,37H2,(H,39,46)(H,40,42)(H,41,45);5-7,9-12,14-15,20-21,40H,1-4,8,13,16-19H2,(H,32,39)(H,33,34)(H,35,38);7-13,15-17,19,36H,2-6,14,18,20H2,1H3,(H,32,33);4,7-11,13,19,35H,1-3,5-6,12,14-18,20H2,(H,30,31)
• InChIKey: IXTRUHYQJCQEJA-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 479.45 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 47
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.66
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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': 'aniline', '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-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione?

The IUPAC name of N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione (CID 163665155) is N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione.

What is the SMILES notation for N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione?

The canonical SMILES for N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione is CN(CCCCCCC(=O)CO)c1ccc(Nc2nc(-c3ccc4c(c3)CN=C4)cn3ccnc23)cc1.Nc1ccccc1NC(=O)CCCCCCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.O=C(CCCCCCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1)NO.O=C(CO)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.

What is the InChIKey of N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione?

The InChIKey is IXTRUHYQJCQEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N8O3.C30H35N7O4.C29H32N6O2.C28H34N6O4/c37-30-10-4-5-11-31(30)41-33(45)12-3-1-2-6-17-39-36(46)27-9-7-8-26(24-27)32-25-44-19-18-38-35(44)34(42-32)40-28-13-15-29(16-14-28)43-20-22-47-23-21-43;38-27(35-40)8-3-1-2-4-13-32-30(39)23-7-5-6-22(20-23)26-21-37-15-14-31-29(37)28(34-26)33-24-9-11-25(12-10-24)36-16-18-41-19-17-36;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;35-20-24(36)5-1-2-6-26(37)33-12-3-4-21(18-33)25-19-34-13-11-29-28(34)27(31-25)30-22-7-9-23(10-8-22)32-14-16-38-17-15-32/h4-5,7-11,13-16,18-19,24-25H,1-3,6,12,17,20-23,37H2,(H,39,46)(H,40,42)(H,41,45);5-7,9-12,14-15,20-21,40H,1-4,8,13,16-19H2,(H,32,39)(H,33,34)(H,35,38);7-13,15-17,19,36H,2-6,14,18,20H2,1H3,(H,32,33);4,7-11,13,19,35H,1-3,5-6,12,14-18,20H2,(H,30,31).

What are the key properties of N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione?

N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione has a molecular weight of 2205.66 g/mol, XLogP of 18.11, 47 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(2-aminoanilino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;1-hydroxy-8-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]octan-2-one;7-hydroxy-1-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]heptane-1,6-dione is sourced from PubChem (CID 163665155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).