2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C121H114N28O13S — CID 172937428

About 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 172937428) has the molecular formula C121H114N28O13S and a molecular weight of 2200.49 g/mol. Its IUPAC name is 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

• Compound Name: 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
• PubChem CID: 172937428
• Molecular Formula: C121H114N28O13S
• Molecular Weight: 2200.49 g/mol
• Exact Mass: 2198.88
• IUPAC Name: 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
• SMILES: CC(C)NC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.COCCN(C)C(=O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N/O)cc1C.O/N=C1\CCc2cc(Nc3c(-c4cccs4)nc4cnccn34)ccc21.O=C(COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1)N1CCOCC1
• InChI: InChI=1S/C27H26N6O4.C27H28N6O4.C25H24N6O2.C23H21N5O2.C19H15N5OS/c34-25(32-11-13-36-14-12-32)17-37-21-5-1-18(2-6-21)26-27(33-10-9-28-16-24(33)30-26)29-20-4-7-22-19(15-20)3-8-23(22)31-35;1-32(13-14-36-2)25(34)17-37-21-7-3-18(4-8-21)26-27(33-12-11-28-16-24(33)30-26)29-20-6-9-22-19(15-20)5-10-23(22)31-35;1-15(2)27-25(32)17-5-3-16(4-6-17)23-24(31-12-11-26-14-22(31)29-23)28-19-8-9-20-18(13-19)7-10-21(20)30-33;1-14-11-16(4-8-20(14)30-2)22-23(28-10-9-24-13-21(28)26-22)25-17-5-6-18-15(12-17)3-7-19(18)27-29;25-23-15-6-3-12-10-13(4-5-14(12)15)21-19-18(16-2-1-9-26-16)22-17-11-20-7-8-24(17)19/h1-2,4-7,9-10,15-16,29,35H,3,8,11-14,17H2;3-4,6-9,11-12,15-16,29,35H,5,10,13-14,17H2,1-2H3;3-6,8-9,11-15,28,33H,7,10H2,1-2H3,(H,27,32);4-6,8-13,25,29H,3,7H2,1-2H3;1-2,4-5,7-11,21,25H,3,6H2/b;;;27-19-;23-15+
• InChIKey: LUSWLRCZUGFFNS-JYDQLXMRSA-N
• XLogP: 20.56
• TPSA: 489.92 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2200.49
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'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 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The IUPAC name of 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 172937428) is 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

What is the SMILES notation for 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The canonical SMILES for 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is CC(C)NC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.COCCN(C)C(=O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N/O)cc1C.O/N=C1\CCc2cc(Nc3c(-c4cccs4)nc4cnccn34)ccc21.O=C(COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1)N1CCOCC1.

What is the InChIKey of 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The InChIKey is LUSWLRCZUGFFNS-JYDQLXMRSA-N. The full InChI is InChI=1S/C27H26N6O4.C27H28N6O4.C25H24N6O2.C23H21N5O2.C19H15N5OS/c34-25(32-11-13-36-14-12-32)17-37-21-5-1-18(2-6-21)26-27(33-10-9-28-16-24(33)30-26)29-20-4-7-22-19(15-20)3-8-23(22)31-35;1-32(13-14-36-2)25(34)17-37-21-7-3-18(4-8-21)26-27(33-12-11-28-16-24(33)30-26)29-20-6-9-22-19(15-20)5-10-23(22)31-35;1-15(2)27-25(32)17-5-3-16(4-6-17)23-24(31-12-11-26-14-22(31)29-23)28-19-8-9-20-18(13-19)7-10-21(20)30-33;1-14-11-16(4-8-20(14)30-2)22-23(28-10-9-24-13-21(28)26-22)25-17-5-6-18-15(12-17)3-7-19(18)27-29;25-23-15-6-3-12-10-13(4-5-14(12)15)21-19-18(16-2-1-9-26-16)22-17-11-20-7-8-24(17)19/h1-2,4-7,9-10,15-16,29,35H,3,8,11-14,17H2;3-4,6-9,11-12,15-16,29,35H,5,10,13-14,17H2,1-2H3;3-6,8-9,11-15,28,33H,7,10H2,1-2H3,(H,27,32);4-6,8-13,25,29H,3,7H2,1-2H3;1-2,4-5,7-11,21,25H,3,6H2/b;;;27-19-;23-15+.

What are the key properties of 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 2200.49 g/mol, XLogP of 20.56, 27 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N-(2-methoxyethyl)-N-methylacetamide;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-1-morpholin-4-ylethanone;4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylbenzamide;(NZ)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[(2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 172937428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).