1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one

C28H33N5O2 — CID 159498840

IUPAC1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESCOc1ccc(-c2ccc(CN3CCN(C[C@H](C)CN4CCc5ccccc5C4)C3=O)nc2)cn1
InChIInChI=1S/C28H33N5O2/c1-21(17-31-12-11-22-5-3-4-6-25(22)19-31)18-32-13-14-33(28(32)34)20-26-9-7-23(15-29-26)24-8-10-27(35-2)30-16-24/h3-10,15-16,21H,11-14,17-20H2,1-2H3/t21-/m1/s1
InChIKeyLZCXTCGPIHOZEE-OAQYLSRUSA-N
MW471.61 g/mol
LogP4.08
Rot. Bonds8

About 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one

1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 159498840) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one
PubChem CID159498840
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESCOc1ccc(-c2ccc(CN3CCN(C[C@H](C)CN4CCc5ccccc5C4)C3=O)nc2)cn1
InChIInChI=1S/C28H33N5O2/c1-21(17-31-12-11-22-5-3-4-6-25(22)19-31)18-32-13-14-33(28(32)34)20-26-9-7-23(15-29-26)24-8-10-27(35-2)30-16-24/h3-10,15-16,21H,11-14,17-20H2,1-2H3/t21-/m1/s1
InChIKeyLZCXTCGPIHOZEE-OAQYLSRUSA-N
XLogP4.08
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 174234062
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(2-methoxy-4-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 139519931
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
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-propan-2-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 139526842
6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile
CID 139511258
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-morpholin-4-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 174234040
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 139526840
1-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 167218901
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 139520015
2-[1-[6-[[3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]piperidin-4-yl]-2-methylpropanoic acid
CID 155464169
1-[[5-(4-acetyl-2-methylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 174234048
2-[1-[6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]-3-pyridinyl]piperidin-4-yl]-2-methylpropanoic acid
CID 174234042

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one (CID 159498840) is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one is COc1ccc(-c2ccc(CN3CCN(C[C@H](C)CN4CCc5ccccc5C4)C3=O)nc2)cn1.
What is the InChIKey of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is LZCXTCGPIHOZEE-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-21(17-31-12-11-22-5-3-4-6-25(22)19-31)18-32-13-14-33(28(32)34)20-26-9-7-23(15-29-26)24-8-10-27(35-2)30-16-24/h3-10,15-16,21H,11-14,17-20H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one?
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 471.61 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 159498840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).