3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone

C19H22N4O — CID 109274481

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
SMILESO=C(c1cnc(N2CCCCC2)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N4O/c24-19(23-11-8-15-6-2-3-7-16(15)14-23)17-12-21-18(13-20-17)22-9-4-1-5-10-22/h2-3,6-7,12-13H,1,4-5,8-11,14H2
InChIKeyXVCUFGHBBCTBON-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.67
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone (PubChem CID 109274481) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
PubChem CID109274481
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
SMILESO=C(c1cnc(N2CCCCC2)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N4O/c24-19(23-11-8-15-6-2-3-7-16(15)14-23)17-12-21-18(13-20-17)22-9-4-1-5-10-22/h2-3,6-7,12-13H,1,4-5,8-11,14H2
InChIKeyXVCUFGHBBCTBON-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226477
[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109191980
4-[5-(azepane-1-carbonyl)pyrazin-2-yl]piperazine-1-carbaldehyde
CID 109278935
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109350750
3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109284060

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone (CID 109274481) is 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone is O=C(c1cnc(N2CCCCC2)cn1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone?
The InChIKey is XVCUFGHBBCTBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(23-11-8-15-6-2-3-7-16(15)14-23)17-12-21-18(13-20-17)22-9-4-1-5-10-22/h2-3,6-7,12-13H,1,4-5,8-11,14H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone is sourced from PubChem (CID 109274481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).