(NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate

C117H111N29O11 — CID 172956250

About (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate

(NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate (PubChem CID 172956250) has the molecular formula C117H111N29O11 and a molecular weight of 2099.37 g/mol. Its IUPAC name is (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate.

Molecular Properties

• Compound Name: (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate
• PubChem CID: 172956250
• Molecular Formula: C117H111N29O11
• Molecular Weight: 2099.37 g/mol
• Exact Mass: 2097.90
• IUPAC Name: (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate
• SMILES: CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c1.COC(=O)CCc1nc2cnccn2c1Nc1ccc2c(c1)CC/C2=N\O.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1Cn1nc(C)cc1C.O/N=C1/CCc2cc(Nc3c(Cc4ccccc4)nc4cnccn34)ccc21.O=c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c[nH]1
• InChI: InChI=1S/C28H27N7O2.C28H30N6O3.C22H19N5O.C20H16N6O2.C19H19N5O3/c1-17-12-18(2)35(32-17)16-21-13-20(5-9-25(21)37-3)27-28(34-11-10-29-15-26(34)31-27)30-22-6-7-23-19(14-22)4-8-24(23)33-36;1-5-33(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;28-26-19-9-6-16-13-17(7-8-18(16)19)24-22-20(12-15-4-2-1-3-5-15)25-21-14-23-10-11-27(21)22;27-18-6-2-13(10-22-18)19-20(26-8-7-21-11-17(26)24-19)23-14-3-4-15-12(9-14)1-5-16(15)25-28;1-27-18(25)7-6-16-19(24-9-8-20-11-17(24)22-16)21-13-3-4-14-12(10-13)2-5-15(14)23-26/h5-7,9-15,30,36H,4,8,16H2,1-3H3;6-8,10-11,13-17,30,36H,5,9,12H2,1-4H3;1-5,7-8,10-11,13-14,24,28H,6,9,12H2;2-4,6-11,23,28H,1,5H2,(H,22,27);3-4,8-11,21,26H,2,5-7H2,1H3/b33-24+;32-23+;26-19-;25-16+;23-15+
• InChIKey: GFQJFEPEKGRURM-ARCJGEJOSA-N
• XLogP: 21.00
• TPSA: 489.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.37
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

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 (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate?

The IUPAC name of (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate (CID 172956250) is (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate.

What is the SMILES notation for (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate?

The canonical SMILES for (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate is CCN(C(=O)OC(C)(C)C)c1cccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c1.COC(=O)CCc1nc2cnccn2c1Nc1ccc2c(c1)CC/C2=N\O.COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)cc1Cn1nc(C)cc1C.O/N=C1/CCc2cc(Nc3c(Cc4ccccc4)nc4cnccn34)ccc21.O=c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CC/C3=N\O)c[nH]1.

What is the InChIKey of (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate?

The InChIKey is GFQJFEPEKGRURM-ARCJGEJOSA-N. The full InChI is InChI=1S/C28H27N7O2.C28H30N6O3.C22H19N5O.C20H16N6O2.C19H19N5O3/c1-17-12-18(2)35(32-17)16-21-13-20(5-9-25(21)37-3)27-28(34-11-10-29-15-26(34)31-27)30-22-6-7-23-19(14-22)4-8-24(23)33-36;1-5-33(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;28-26-19-9-6-16-13-17(7-8-18(16)19)24-22-20(12-15-4-2-1-3-5-15)25-21-14-23-10-11-27(21)22;27-18-6-2-13(10-22-18)19-20(26-8-7-21-11-17(26)24-19)23-14-3-4-15-12(9-14)1-5-16(15)25-28;1-27-18(25)7-6-16-19(24-9-8-20-11-17(24)22-16)21-13-3-4-14-12(10-13)2-5-15(14)23-26/h5-7,9-15,30,36H,4,8,16H2,1-3H3;6-8,10-11,13-17,30,36H,5,9,12H2,1-4H3;1-5,7-8,10-11,13-14,24,28H,6,9,12H2;2-4,6-11,23,28H,1,5H2,(H,22,27);3-4,8-11,21,26H,2,5-7H2,1H3/b33-24+;32-23+;26-19-;25-16+;23-15+.

What are the key properties of (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate?

(NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate has a molecular weight of 2099.37 g/mol, XLogP of 21.00, 23 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[5-[(2-benzylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;tert-butyl N-ethyl-N-[3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]carbamate;(NE)-N-[5-[[2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]imidazo[1,2-a]pyrazin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine;5-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]-1H-pyridin-2-one;methyl 3-[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]imidazo[1,2-a]pyrazin-2-yl]propanoate is sourced from PubChem (CID 172956250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).