2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one

C41H47N5O5Si — CID 131727997

About 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one

2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one (PubChem CID 131727997) has the molecular formula C41H47N5O5Si and a molecular weight of 717.94 g/mol. Its IUPAC name is 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one.

Molecular Properties

• Compound Name: 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one
• PubChem CID: 131727997
• Molecular Formula: C41H47N5O5Si
• Molecular Weight: 717.94 g/mol
• Exact Mass: 717.33
• IUPAC Name: 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one
• SMILES: Cn1cc(-c2cccc(-n3ccc4cc(C5CC5)ccc4c3=O)c2C(C)(C)O[SiH2]C(C)(C)C)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
• InChI: InChI=1S/C41H47N5O5Si/c1-40(2,3)52-51-41(4,5)36-31(8-7-9-34(36)46-17-16-28-22-27(26-10-11-26)12-14-32(28)38(46)48)30-23-33(39(49)44(6)25-30)43-35-15-13-29(24-42-35)37(47)45-18-20-50-21-19-45/h7-9,12-17,22-26H,10-11,18-21,52H2,1-6H3,(H,42,43)
• InChIKey: NHIWMEOJPMBLRM-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 107.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.94
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one?

The IUPAC name of 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one (CID 131727997) is 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one.

What is the SMILES notation for 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one?

The canonical SMILES for 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one is Cn1cc(-c2cccc(-n3ccc4cc(C5CC5)ccc4c3=O)c2C(C)(C)O[SiH2]C(C)(C)C)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.

What is the InChIKey of 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one?

The InChIKey is NHIWMEOJPMBLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47N5O5Si/c1-40(2,3)52-51-41(4,5)36-31(8-7-9-34(36)46-17-16-28-22-27(26-10-11-26)12-14-32(28)38(46)48)30-23-33(39(49)44(6)25-30)43-35-15-13-29(24-42-35)37(47)45-18-20-50-21-19-45/h7-9,12-17,22-26H,10-11,18-21,52H2,1-6H3,(H,42,43).

What are the key properties of 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one?

2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one has a molecular weight of 717.94 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-tert-butylsilyloxypropan-2-yl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-cyclopropylisoquinolin-1-one is sourced from PubChem (CID 131727997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).