4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C114H101N27O10 — CID 172957563

About 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 172957563) has the molecular formula C114H101N27O10 and a molecular weight of 2009.24 g/mol. Its IUPAC name is 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

• Compound Name: 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
• PubChem CID: 172957563
• Molecular Formula: C114H101N27O10
• Molecular Weight: 2009.24 g/mol
• Exact Mass: 2007.82
• IUPAC Name: 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
• SMILES: CC(=O)Nc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c1.CNC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c(C)c1.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1C.COc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N/O)c1
• InChI: InChI=1S/2C23H20N6O2.2C23H21N5O2.C22H19N5O2/c1-24-23(30)15-4-2-14(3-5-15)21-22(29-11-10-25-13-20(29)27-21)26-17-7-8-18-16(12-17)6-9-19(18)28-31;1-14(30)25-17-4-2-3-16(12-17)22-23(29-10-9-24-13-21(29)27-22)26-18-6-7-19-15(11-18)5-8-20(19)28-31;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;1-14-11-17(30-2)5-7-18(14)22-23(28-10-9-24-13-21(28)26-22)25-16-4-6-19-15(12-16)3-8-20(19)27-29;1-29-17-4-2-3-15(12-17)21-22(27-10-9-23-13-20(27)25-21)24-16-6-7-18-14(11-16)5-8-19(18)26-28/h2-5,7-8,10-13,26,31H,6,9H2,1H3,(H,24,30);2-4,6-7,9-13,26,31H,5,8H2,1H3,(H,25,30);4-6,8-13,25,29H,3,7H2,1-2H3;4-7,9-13,25,29H,3,8H2,1-2H3;2-4,6-7,9-13,24,28H,5,8H2,1H3/b28-19+;28-20+;27-19+;27-20+;26-19-
• InChIKey: BALRKCXBXZDGRN-LXDYXBFGSA-N
• XLogP: 21.28
• TPSA: 459.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.24
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The IUPAC name of 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 172957563) is 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

What is the SMILES notation for 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The canonical SMILES for 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is CC(=O)Nc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c1.CNC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c(C)c1.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1C.COc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N/O)c1.

What is the InChIKey of 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The InChIKey is BALRKCXBXZDGRN-LXDYXBFGSA-N. The full InChI is InChI=1S/2C23H20N6O2.2C23H21N5O2.C22H19N5O2/c1-24-23(30)15-4-2-14(3-5-15)21-22(29-11-10-25-13-20(29)27-21)26-17-7-8-18-16(12-17)6-9-19(18)28-31;1-14(30)25-17-4-2-3-16(12-17)22-23(29-10-9-24-13-21(29)27-22)26-18-6-7-19-15(11-18)5-8-20(19)28-31;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;1-14-11-17(30-2)5-7-18(14)22-23(28-10-9-24-13-21(28)26-22)25-16-4-6-19-15(12-16)3-8-20(19)27-29;1-29-17-4-2-3-15(12-17)21-22(27-10-9-23-13-20(27)25-21)24-16-6-7-18-14(11-16)5-8-19(18)26-28/h2-5,7-8,10-13,26,31H,6,9H2,1H3,(H,24,30);2-4,6-7,9-13,26,31H,5,8H2,1H3,(H,25,30);4-6,8-13,25,29H,3,7H2,1-2H3;4-7,9-13,25,29H,3,8H2,1-2H3;2-4,6-7,9-13,24,28H,5,8H2,1H3/b28-19+;28-20+;27-19+;27-20+;26-19-.

What are the key properties of 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 2009.24 g/mol, XLogP of 21.28, 20 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-N-methylbenzamide;N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide;(NE)-N-[5-[[2-(4-methoxy-2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NE)-N-[5-[[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;(NZ)-N-[5-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 172957563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).