5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile

C27H29N7O — CID 157235332

About 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile

5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile (PubChem CID 157235332) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile
• PubChem CID: 157235332
• Molecular Formula: C27H29N7O
• Molecular Weight: 467.58 g/mol
• Exact Mass: 467.24
• IUPAC Name: 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile
• SMILES: C[C@H](CN1CCc2ccccc2C1)CN1CCN(Cc2cc(-c3cnc(C#N)nc3)ccn2)C1=O
• InChI: InChI=1S/C27H29N7O/c1-20(16-32-9-7-21-4-2-3-5-23(21)18-32)17-33-10-11-34(27(33)35)19-25-12-22(6-8-29-25)24-14-30-26(13-28)31-15-24/h2-6,8,12,14-15,20H,7,9-11,16-19H2,1H3/t20-/m1/s1
• InChIKey: AUOLGQVGFSWYED-HXUWFJFHSA-N
• XLogP: 3.34
• TPSA: 89.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile?

The IUPAC name of 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile (CID 157235332) is 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile is C[C@H](CN1CCc2ccccc2C1)CN1CCN(Cc2cc(-c3cnc(C#N)nc3)ccn2)C1=O.

What is the InChIKey of 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile?

The InChIKey is AUOLGQVGFSWYED-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H29N7O/c1-20(16-32-9-7-21-4-2-3-5-23(21)18-32)17-33-10-11-34(27(33)35)19-25-12-22(6-8-29-25)24-14-30-26(13-28)31-15-24/h2-6,8,12,14-15,20H,7,9-11,16-19H2,1H3/t20-/m1/s1.

What are the key properties of 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile?

5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile has a molecular weight of 467.58 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-oxoimidazolidin-1-yl]methyl]-4-pyridinyl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 157235332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).