N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide

C113H98N28O12 — CID 172982613

About N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide

N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide (PubChem CID 172982613) has the molecular formula C113H98N28O12 and a molecular weight of 2040.21 g/mol. Its IUPAC name is N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
• PubChem CID: 172982613
• Molecular Formula: C113H98N28O12
• Molecular Weight: 2040.21 g/mol
• Exact Mass: 2038.79
• IUPAC Name: N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.CN(C)C(=O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.Nc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.O/N=C1\CCc2cc(Nc3c(-c4ccc(O)cc4)nc4cnccn34)ccc21.O=C(O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1
• InChI: InChI=1S/C25H24N6O3.C23H20N6O2.C23H19N5O4.C21H18N6O.C21H17N5O2/c1-30(2)23(32)15-34-19-7-3-16(4-8-19)24-25(31-12-11-26-14-22(31)28-24)27-18-6-9-20-17(13-18)5-10-21(20)29-33;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;29-21(30)13-32-17-5-1-14(2-6-17)22-23(28-10-9-24-12-20(28)26-22)25-16-4-7-18-15(11-16)3-8-19(18)27-31;22-15-3-1-2-14(10-15)20-21(27-9-8-23-12-19(27)25-20)24-16-5-6-17-13(11-16)4-7-18(17)26-28;27-16-5-1-13(2-6-16)20-21(26-10-9-22-12-19(26)24-20)23-15-4-7-17-14(11-15)3-8-18(17)25-28/h3-4,6-9,11-14,27,33H,5,10,15H2,1-2H3;2-4,6-7,9-13,26,31H,5,8H2,1H3,(H,25,30);1-2,4-7,9-12,25,31H,3,8,13H2,(H,29,30);1-3,5-6,8-12,24,28H,4,7,22H2;1-2,4-7,9-12,23,27-28H,3,8H2/b;;27-19+;;25-18+
• InChIKey: JHFBKLFGEJCXIE-QZWOHIPOSA-N
• XLogP: 19.50
• TPSA: 525.47 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2040.21
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

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-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?

The IUPAC name of N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide (CID 172982613) is N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?

The canonical SMILES for N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.CN(C)C(=O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)cc1.Nc1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3=NO)c1.O/N=C1\CCc2cc(Nc3c(-c4ccc(O)cc4)nc4cnccn34)ccc21.O=C(O)COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1.

What is the InChIKey of N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?

The InChIKey is JHFBKLFGEJCXIE-QZWOHIPOSA-N. The full InChI is InChI=1S/C25H24N6O3.C23H20N6O2.C23H19N5O4.C21H18N6O.C21H17N5O2/c1-30(2)23(32)15-34-19-7-3-16(4-8-19)24-25(31-12-11-26-14-22(31)28-24)27-18-6-9-20-17(13-18)5-10-21(20)29-33;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;29-21(30)13-32-17-5-1-14(2-6-17)22-23(28-10-9-24-12-20(28)26-22)25-16-4-7-18-15(11-16)3-8-19(18)27-31;22-15-3-1-2-14(10-15)20-21(27-9-8-23-12-19(27)25-20)24-16-5-6-17-13(11-16)4-7-18(17)26-28;27-16-5-1-13(2-6-16)20-21(26-10-9-22-12-19(26)24-20)23-15-4-7-17-14(11-15)3-8-18(17)25-28/h3-4,6-9,11-14,27,33H,5,10,15H2,1-2H3;2-4,6-7,9-13,26,31H,5,8H2,1H3,(H,25,30);1-2,4-7,9-12,25,31H,3,8,13H2,(H,29,30);1-3,5-6,8-12,24,28H,4,7,22H2;1-2,4-7,9-12,23,27-28H,3,8H2/b;;27-19+;;25-18+.

What are the key properties of N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide?

N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 2040.21 g/mol, XLogP of 19.50, 22 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(3-aminophenyl)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]phenol;2-[4-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]acetic acid;2-[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenoxy]-N,N-dimethylacetamide;N-[3-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 172982613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).