6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile

C22H25N5O2 — CID 139511258

IUPAC6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)nc1
InChIInChI=1S/C22H25N5O2/c23-11-17-5-6-20(24-12-17)14-26-9-10-27(22(26)29)16-21(28)15-25-8-7-18-3-1-2-4-19(18)13-25/h1-6,12,21,28H,7-10,13-16H2
InChIKeyXOIOLGWPWCUMRV-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.61
Rot. Bonds6

About 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile

6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 139511258) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID139511258
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)nc1
InChIInChI=1S/C22H25N5O2/c23-11-17-5-6-20(24-12-17)14-26-9-10-27(22(26)29)16-21(28)15-25-8-7-18-3-1-2-4-19(18)13-25/h1-6,12,21,28H,7-10,13-16H2
InChIKeyXOIOLGWPWCUMRV-UHFFFAOYSA-N
XLogP1.61
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-propan-2-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 139526842
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-[[5-[(cyclopropylamino)-hydroxymethyl]-2-pyridinyl]methyl]-3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 167218901
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-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 139526840
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
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
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[5-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-2-pyridinyl]methyl]imidazolidin-2-one
CID 155461932
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile (CID 139511258) is 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)nc1.
What is the InChIKey of 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is XOIOLGWPWCUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-11-17-5-6-20(24-12-17)14-26-9-10-27(22(26)29)16-21(28)15-25-8-7-18-3-1-2-4-19(18)13-25/h1-6,12,21,28H,7-10,13-16H2.
What are the key properties of 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile?
6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 391.48 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 139511258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).