2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile

C130H148F4N24O11 — CID 158887672

About 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile

2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile (PubChem CID 158887672) has the molecular formula C130H148F4N24O11 and a molecular weight of 2298.76 g/mol. Its IUPAC name is 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile
• PubChem CID: 158887672
• Molecular Formula: C130H148F4N24O11
• Molecular Weight: 2298.76 g/mol
• Exact Mass: 2297.17
• IUPAC Name: 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile
• SMILES: Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2c(O)cccc2C1=O.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2ccc(C#N)cc2C1=O.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2ccc(O)cc2C1=O.Cc1cc(F)ccc1Cc1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc3ccc(O)cc3C1=O)CC2(C)C
• InChI: InChI=1S/C33H36FN7O2.C33H38FN5O3.2C32H37FN6O3/c1-20-9-25(34)8-7-23(20)11-26-12-29-31(38-37-26)33(3,4)19-41(29)30(42)18-39-15-21(2)36-14-27(39)17-40-16-24-6-5-22(13-35)10-28(24)32(40)43;1-20-9-25(34)7-5-23(20)10-22-11-29-31(36-13-22)33(3,4)19-39(29)30(41)18-37-15-21(2)35-14-26(37)17-38-16-24-6-8-27(40)12-28(24)32(38)42;1-19-9-23(33)7-5-21(19)10-24-11-28-30(36-35-24)32(3,4)18-39(28)29(41)17-37-14-20(2)34-13-25(37)16-38-15-22-6-8-26(40)12-27(22)31(38)42;1-19-10-22(33)9-8-21(19)11-23-12-27-30(36-35-23)32(3,4)18-39(27)29(41)17-37-14-20(2)34-13-24(37)15-38-16-26-25(31(38)42)6-5-7-28(26)40/h5-10,12,21,27,36H,11,14-19H2,1-4H3;5-9,11-13,21,26,35,40H,10,14-19H2,1-4H3;5-9,11-12,20,25,34,40H,10,13-18H2,1-4H3;5-10,12,20,24,34,40H,11,13-18H2,1-4H3/t21-,27-;21-,26-;20-,25-;20-,24-/m1111/s1
• InChIKey: JDVIZWKYPPCFGD-ZSIOPLCRSA-N
• XLogP: 13.42
• TPSA: 398.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2298.76
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile?

The IUPAC name of 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile (CID 158887672) is 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile.

What is the SMILES notation for 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile?

The canonical SMILES for 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile is Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2c(O)cccc2C1=O.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2ccc(C#N)cc2C1=O.Cc1cc(F)ccc1Cc1cc2c(nn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc2ccc(O)cc2C1=O.Cc1cc(F)ccc1Cc1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1Cc3ccc(O)cc3C1=O)CC2(C)C.

What is the InChIKey of 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile?

The InChIKey is JDVIZWKYPPCFGD-ZSIOPLCRSA-N. The full InChI is InChI=1S/C33H36FN7O2.C33H38FN5O3.2C32H37FN6O3/c1-20-9-25(34)8-7-23(20)11-26-12-29-31(38-37-26)33(3,4)19-41(29)30(42)18-39-15-21(2)36-14-27(39)17-40-16-24-6-5-22(13-35)10-28(24)32(40)43;1-20-9-25(34)7-5-23(20)10-22-11-29-31(36-13-22)33(3,4)19-39(29)30(41)18-37-15-21(2)35-14-26(37)17-38-16-24-6-8-27(40)12-28(24)32(38)42;1-19-9-23(33)7-5-21(19)10-24-11-28-30(36-35-24)32(3,4)18-39(28)29(41)17-37-14-20(2)34-13-25(37)16-38-15-22-6-8-26(40)12-27(22)31(38)42;1-19-10-22(33)9-8-21(19)11-23-12-27-30(36-35-23)32(3,4)18-39(27)29(41)17-37-14-20(2)34-13-24(37)15-38-16-26-25(31(38)42)6-5-7-28(26)40/h5-10,12,21,27,36H,11,14-19H2,1-4H3;5-9,11-13,21,26,35,40H,10,14-19H2,1-4H3;5-9,11-12,20,25,34,40H,10,13-18H2,1-4H3;5-10,12,20,24,34,40H,11,13-18H2,1-4H3/t21-,27-;21-,26-;20-,25-;20-,24-/m1111/s1.

What are the key properties of 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile?

2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile has a molecular weight of 2298.76 g/mol, XLogP of 13.42, 24 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-4-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-6-hydroxy-3H-isoindol-1-one;2-[[(2R,5R)-1-[2-[3-[(4-fluoro-2-methylphenyl)methyl]-7,7-dimethyl-6H-pyrrolo[3,2-c]pyridazin-5-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile is sourced from PubChem (CID 158887672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).