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-[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

C70H66BrClN14O10 — CID 159426679

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-[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-[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-[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 (PubChem CID 159426679) has the molecular formula C70H66BrClN14O10 and a molecular weight of 1378.74 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-[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.

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-[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
• PubChem CID: 159426679
• Molecular Formula: C70H66BrClN14O10
• Molecular Weight: 1378.74 g/mol
• Exact Mass: 1376.40
• 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-[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
• SMILES: CC(C)(C#N)c1ccc2c(c1)CCN(c1cccc(Br)c1C=O)C2=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
• InChI: InChI=1S/C35H33N7O5.C20H17BrN2O2.C15H16ClN5O3/c1-35(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/h4-10,17-20H,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)
• InChIKey: LQLGGFWWAXRONR-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 301.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1378.74
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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-[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?

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-[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 (CID 159426679) 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-[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.

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-[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?

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-[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 is CC(C)(C#N)c1ccc2c(c1)CCN(c1cccc(Br)c1C=O)C2=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.

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-[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?

The InChIKey is LQLGGFWWAXRONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O5.C20H17BrN2O2.C15H16ClN5O3/c1-35(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/h4-10,17-20H,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).

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-[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-[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-[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 has a molecular weight of 1378.74 g/mol, XLogP of 9.19, 13 rotatable bonds, 2 hydrogen bond donors, and 20 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-[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 is sourced from PubChem (CID 159426679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).