(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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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).