2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile

C147H139Br3ClF2N25O19 — CID 158313432

About 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile

2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile (PubChem CID 158313432) has the molecular formula C147H139Br3ClF2N25O19 and a molecular weight of 2873.05 g/mol. Its IUPAC name is 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile.

Molecular Properties

• Compound Name: 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile
• PubChem CID: 158313432
• Molecular Formula: C147H139Br3ClF2N25O19
• Molecular Weight: 2873.05 g/mol
• Exact Mass: 2867.79
• IUPAC Name: 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile
• SMILES: CC(C)(C#N)c1ccc2c(c1)CCN(c1cccc(Br)c1C=O)C2=O.CC(C)(C#N)c1ccc2c(c1)CCNC2=O.CC(C)C#N.Cn1nc(-c2cccc(N3CCc4cc(C(C)(C)C#N)ccc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1nc(-c2cccc(N3CCc4cc(C(C)(C)C#N)ccc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1nc(Cl)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.O=C1CCc2cc(F)ccc21.O=C1NCCc2cc(F)ccc21.O=Cc1c(Br)cccc1Br
• InChI: InChI=1S/2C35H33N7O5.C20H17BrN2O2.C15H16ClN5O3.C13H14N2O.C9H8FNO.C9H7FO.C7H4Br2O.C4H7N/c2*1-35(2,21-36)24-8-9-25-22(17-24)11-12-42(33(25)45)30-6-4-5-26(27(30)20-43)28-18-29(34(46)40(3)39-28)38-31-10-7-23(19-37-31)32(44)41-13-15-47-16-14-41;1-20(2,12-22)14-6-7-15-13(10-14)8-9-23(19(15)25)18-5-3-4-17(21)16(18)11-24;1-20-15(23)11(8-12(16)19-20)18-13-3-2-10(9-17-13)14(22)21-4-6-24-7-5-21;1-13(2,8-14)10-3-4-11-9(7-10)5-6-15-12(11)16;10-7-1-2-8-6(5-7)3-4-11-9(8)12;10-7-2-3-8-6(5-7)1-4-9(8)11;8-6-2-1-3-7(9)5(6)4-10;1-4(2)3-5/h2*4-10,17-20H,11-16H2,1-3H3,(H,37,38);3-7,10-11H,8-9H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,17,18);3-4,7H,5-6H2,1-2H3,(H,15,16);1-2,5H,3-4H2,(H,11,12);2-3,5H,1,4H2;1-4H;4H,1-2H3
• InChIKey: GNYQFSYXNZECTK-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 591.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2873.05
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile?

The IUPAC name of 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile (CID 158313432) is 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile.

What is the SMILES notation for 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile?

The canonical SMILES for 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile is CC(C)(C#N)c1ccc2c(c1)CCN(c1cccc(Br)c1C=O)C2=O.CC(C)(C#N)c1ccc2c(c1)CCNC2=O.CC(C)C#N.Cn1nc(-c2cccc(N3CCc4cc(C(C)(C)C#N)ccc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1nc(-c2cccc(N3CCc4cc(C(C)(C)C#N)ccc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1nc(Cl)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.O=C1CCc2cc(F)ccc21.O=C1NCCc2cc(F)ccc21.O=Cc1c(Br)cccc1Br.

What is the InChIKey of 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile?

The InChIKey is GNYQFSYXNZECTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H33N7O5.C20H17BrN2O2.C15H16ClN5O3.C13H14N2O.C9H8FNO.C9H7FO.C7H4Br2O.C4H7N/c2*1-35(2,21-36)24-8-9-25-22(17-24)11-12-42(33(25)45)30-6-4-5-26(27(30)20-43)28-18-29(34(46)40(3)39-28)38-31-10-7-23(19-37-31)32(44)41-13-15-47-16-14-41;1-20(2,12-22)14-6-7-15-13(10-14)8-9-23(19(15)25)18-5-3-4-17(21)16(18)11-24;1-20-15(23)11(8-12(16)19-20)18-13-3-2-10(9-17-13)14(22)21-4-6-24-7-5-21;1-13(2,8-14)10-3-4-11-9(7-10)5-6-15-12(11)16;10-7-1-2-8-6(5-7)3-4-11-9(8)12;10-7-2-3-8-6(5-7)1-4-9(8)11;8-6-2-1-3-7(9)5(6)4-10;1-4(2)3-5/h2*4-10,17-20H,11-16H2,1-3H3,(H,37,38);3-7,10-11H,8-9H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,17,18);3-4,7H,5-6H2,1-2H3,(H,15,16);1-2,5H,3-4H2,(H,11,12);2-3,5H,1,4H2;1-4H;4H,1-2H3.

What are the key properties of 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile?

2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile has a molecular weight of 2873.05 g/mol, XLogP of 22.09, 22 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-bromo-2-formylphenyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one;2,6-dibromobenzaldehyde;5-fluoro-2,3-dihydroinden-1-one;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one;bis(2-[2-[2-formyl-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxopyridazin-3-yl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methylpropanenitrile);2-methyl-2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)propanenitrile;2-methylpropanenitrile is sourced from PubChem (CID 158313432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).