(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile

C19H15N5O2 — CID 166486455

IUPAC(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
SMILESCOc1cc(N2C[C@@H](C#N)N(c3cncc4ccccc34)C2=O)ccn1
InChIInChI=1S/C19H15N5O2/c1-26-18-8-14(6-7-22-18)23-12-15(9-20)24(19(23)25)17-11-21-10-13-4-2-3-5-16(13)17/h2-8,10-11,15H,12H2,1H3/t15-/m1/s1
InChIKeyPJIIJSPRTCJRAX-OAHLLOKOSA-N
MW345.36 g/mol
LogP2.98
Rot. Bonds3

About (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile

(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486455) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486455
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
SMILESCOc1cc(N2C[C@@H](C#N)N(c3cncc4ccccc34)C2=O)ccn1
InChIInChI=1S/C19H15N5O2/c1-26-18-8-14(6-7-22-18)23-12-15(9-20)24(19(23)25)17-11-21-10-13-4-2-3-5-16(13)17/h2-8,10-11,15H,12H2,1H3/t15-/m1/s1
InChIKeyPJIIJSPRTCJRAX-OAHLLOKOSA-N
XLogP2.98
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azd-0156
CID 118502708
2-[4-[8-(6-Methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
CID 45254590
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379638
3-Methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 126689144
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 126689215
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379635
3-[(4-Methoxyphenyl)methyl]-1-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 155551609
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379590
Methyl 4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate
CID 60151411
1-(1-Acetylpiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 60151412
1-(4-Cyclopropylpyridin-3-yl)-3-(2-methoxypyridin-4-yl)imidazolidin-2-one
CID 66576489
US9029399, 31A-II
CID 66576971

Frequently Asked Questions

What is the IUPAC name of (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile (CID 166486455) is (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile is COc1cc(N2C[C@@H](C#N)N(c3cncc4ccccc34)C2=O)ccn1.
What is the InChIKey of (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is PJIIJSPRTCJRAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-18-8-14(6-7-22-18)23-12-15(9-20)24(19(23)25)17-11-21-10-13-4-2-3-5-16(13)17/h2-8,10-11,15H,12H2,1H3/t15-/m1/s1.
What are the key properties of (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).