N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate

C122H118N30O11 — CID 158692379

About N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate

N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate (PubChem CID 158692379) has the molecular formula C122H118N30O11 and a molecular weight of 2180.48 g/mol. Its IUPAC name is N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate.

Molecular Properties

• Compound Name: N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate
• PubChem CID: 158692379
• Molecular Formula: C122H118N30O11
• Molecular Weight: 2180.48 g/mol
• Exact Mass: 2178.96
• IUPAC Name: N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate
• SMILES: CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.CCNc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.CN(C)CCNC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.COC(=O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.Nc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1
• InChI: InChI=1S/C28H30N6O3.C26H27N7O2.C24H21N5O4.C23H22N6O.C21H18N6O/c1-5-33(27(35)37-28(2,3)4)21-8-6-7-19(16-21)25-26(34-14-13-29-17-24(34)31-25)30-20-10-11-22-18(15-20)9-12-23(22)32-36;1-32(2)13-12-28-26(34)18-5-3-17(4-6-18)24-25(33-14-11-27-16-23(33)30-24)29-20-8-9-21-19(15-20)7-10-22(21)31-35;1-32-22(30)14-33-18-6-2-15(3-7-18)23-24(29-11-10-25-13-21(29)27-23)26-17-5-8-19-16(12-17)4-9-20(19)28-31;1-2-25-17-5-3-4-16(13-17)22-23(29-11-10-24-14-21(29)27-22)26-18-7-8-19-15(12-18)6-9-20(19)28-30;22-15-4-1-13(2-5-15)20-21(27-10-9-23-12-19(27)25-20)24-16-6-7-17-14(11-16)3-8-18(17)26-28/h6-8,10-11,13-17,30,36H,5,9,12H2,1-4H3;3-6,8-9,11,14-16,29,35H,7,10,12-13H2,1-2H3,(H,28,34);2-3,5-8,10-13,26,31H,4,9,14H2,1H3;3-5,7-8,10-14,25-26,30H,2,6,9H2,1H3;1-2,4-7,9-12,24,28H,3,8,22H2
• InChIKey: IGNAFPPDAPDLHB-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 509.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.48
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate?

The IUPAC name of N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate (CID 158692379) is N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate.

What is the SMILES notation for N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate?

The canonical SMILES for N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate is CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.CCNc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.CN(C)CCNC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.COC(=O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.Nc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.

What is the InChIKey of N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate?

The InChIKey is IGNAFPPDAPDLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C26H27N7O2.C24H21N5O4.C23H22N6O.C21H18N6O/c1-5-33(27(35)37-28(2,3)4)21-8-6-7-19(16-21)25-26(34-14-13-29-17-24(34)31-25)30-20-10-11-22-18(15-20)9-12-23(22)32-36;1-32(2)13-12-28-26(34)18-5-3-17(4-6-18)24-25(33-14-11-27-16-23(33)30-24)29-20-8-9-21-19(15-20)7-10-22(21)31-35;1-32-22(30)14-33-18-6-2-15(3-7-18)23-24(29-11-10-25-13-21(29)27-23)26-17-5-8-19-16(12-17)4-9-20(19)28-31;1-2-25-17-5-3-4-16(13-17)22-23(29-11-10-24-14-21(29)27-22)26-18-7-8-19-15(12-18)6-9-20(19)28-30;22-15-4-1-13(2-5-15)20-21(27-10-9-23-12-19(27)25-20)24-16-6-7-17-14(11-16)3-8-18(17)26-28/h6-8,10-11,13-17,30,36H,5,9,12H2,1-4H3;3-6,8-9,11,14-16,29,35H,7,10,12-13H2,1-2H3,(H,28,34);2-3,5-8,10-13,26,31H,4,9,14H2,1H3;3-5,7-8,10-14,25-26,30H,2,6,9H2,1H3;1-2,4-7,9-12,24,28H,3,8,22H2.

What are the key properties of N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate?

N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate has a molecular weight of 2180.48 g/mol, XLogP of 21.94, 26 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;N-[2-(dimethylamino)ethyl]-4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]benzamide;N-[5-[[2-[3-(ethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;methyl 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetate is sourced from PubChem (CID 158692379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).