1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone

C24H27N5O2 — CID 158885542

IUPAC1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cnccn3)ccc2cn1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H27N5O2/c30-24(29-7-3-22(4-8-29)28-9-11-31-12-10-28)15-21-14-20-13-18(1-2-19(20)16-27-21)23-17-25-5-6-26-23/h1-2,5-6,13-14,16-17,22H,3-4,7-12,15H2
InChIKeyJDOUKWWYGYKYNR-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone

1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone (PubChem CID 158885542) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
PubChem CID158885542
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cnccn3)ccc2cn1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H27N5O2/c30-24(29-7-3-22(4-8-29)28-9-11-31-12-10-28)15-21-14-20-13-18(1-2-19(20)16-27-21)23-17-25-5-6-26-23/h1-2,5-6,13-14,16-17,22H,3-4,7-12,15H2
InChIKeyJDOUKWWYGYKYNR-UHFFFAOYSA-N
XLogP2.56
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
CID 161114502
2-(6-pyrazin-2-ylisoquinolin-3-yl)-1-[4-(3,3,3-trifluoropropylamino)piperidin-1-yl]ethanone
CID 160910766
1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone
CID 159161643
2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 147019913
3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide
CID 138590974
1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147432485
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
(3S,4S)-3-fluoro-4-(propan-2-ylamino)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606067
[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 139580340
1-(2-fluoroethyl)-N-(6-pyrazin-2-ylisoquinolin-3-yl)piperidine-4-carboxamide
CID 138586292
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119059947
2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone?
The IUPAC name of 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone (CID 158885542) is 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone?
The canonical SMILES for 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone is O=C(Cc1cc2cc(-c3cnccn3)ccc2cn1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone?
The InChIKey is JDOUKWWYGYKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(29-7-3-22(4-8-29)28-9-11-31-12-10-28)15-21-14-20-13-18(1-2-19(20)16-27-21)23-17-25-5-6-26-23/h1-2,5-6,13-14,16-17,22H,3-4,7-12,15H2.
What are the key properties of 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone?
1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone has a molecular weight of 417.51 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone is sourced from PubChem (CID 158885542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).