2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene

C33H38N6O — CID 142961682

About 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene

2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene (PubChem CID 142961682) has the molecular formula C33H38N6O and a molecular weight of 534.71 g/mol. Its IUPAC name is 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene.

Molecular Properties

• Compound Name: 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene
• PubChem CID: 142961682
• Molecular Formula: C33H38N6O
• Molecular Weight: 534.71 g/mol
• Exact Mass: 534.31
• IUPAC Name: 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene
• SMILES: C=CC.CCc1[nH]c(=O)n(C2CCN(Cc3ccc(-c4nc(N)c(C#N)cc4-c4ccccc4)cc3)CC2)c1C
• InChI: InChI=1S/C30H32N6O.C3H6/c1-3-27-20(2)36(30(37)33-27)25-13-15-35(16-14-25)19-21-9-11-23(12-10-21)28-26(22-7-5-4-6-8-22)17-24(18-31)29(32)34-28;1-3-2/h4-12,17,25H,3,13-16,19H2,1-2H3,(H2,32,34)(H,33,37);3H,1H2,2H3
• InChIKey: GHSCPQGYWBDJKE-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 103.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.71
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene?

The IUPAC name of 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene (CID 142961682) is 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene.

What is the SMILES notation for 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene?

The canonical SMILES for 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene is C=CC.CCc1[nH]c(=O)n(C2CCN(Cc3ccc(-c4nc(N)c(C#N)cc4-c4ccccc4)cc3)CC2)c1C.

What is the InChIKey of 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene?

The InChIKey is GHSCPQGYWBDJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O.C3H6/c1-3-27-20(2)36(30(37)33-27)25-13-15-35(16-14-25)19-21-9-11-23(12-10-21)28-26(22-7-5-4-6-8-22)17-24(18-31)29(32)34-28;1-3-2/h4-12,17,25H,3,13-16,19H2,1-2H3,(H2,32,34)(H,33,37);3H,1H2,2H3.

What are the key properties of 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene?

2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene has a molecular weight of 534.71 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene is sourced from PubChem (CID 142961682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).