(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C19H14ClN5O — CID 166486683

IUPAC(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCc1cc(Cl)cnc1N1C[C@@H](C#N)N(c2cncc3ccccc23)C1=O
InChIInChI=1S/C19H14ClN5O/c1-12-6-14(20)9-23-18(12)24-11-15(7-21)25(19(24)26)17-10-22-8-13-4-2-3-5-16(13)17/h2-6,8-10,15H,11H2,1H3/t15-/m1/s1
InChIKeyGRLBAEIGQLOMBV-OAHLLOKOSA-N
MW363.81 g/mol
LogP3.93
Rot. Bonds2

About (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486683) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486683
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCc1cc(Cl)cnc1N1C[C@@H](C#N)N(c2cncc3ccccc23)C1=O
InChIInChI=1S/C19H14ClN5O/c1-12-6-14(20)9-23-18(12)24-11-15(7-21)25(19(24)26)17-10-22-8-13-4-2-3-5-16(13)17/h2-6,8-10,15H,11H2,1H3/t15-/m1/s1
InChIKeyGRLBAEIGQLOMBV-OAHLLOKOSA-N
XLogP3.93
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486683) is (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is Cc1cc(Cl)cnc1N1C[C@@H](C#N)N(c2cncc3ccccc23)C1=O.
What is the InChIKey of (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is GRLBAEIGQLOMBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-6-14(20)9-23-18(12)24-11-15(7-21)25(19(24)26)17-10-22-8-13-4-2-3-5-16(13)17/h2-6,8-10,15H,11H2,1H3/t15-/m1/s1.
What are the key properties of (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 363.81 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).