pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C20H20N4O2 — CID 133144323

IUPACpyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1ccccn1)N1Cc2cccn2C(CCOc2ccccn2)C1
InChIInChI=1S/C20H20N4O2/c25-20(18-7-1-3-10-21-18)23-14-16-6-5-12-24(16)17(15-23)9-13-26-19-8-2-4-11-22-19/h1-8,10-12,17H,9,13-15H2
InChIKeyOCJRDCRIJIMDLH-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.94
Rot. Bonds5

About pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 133144323) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID133144323
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namepyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(c1ccccn1)N1Cc2cccn2C(CCOc2ccccn2)C1
InChIInChI=1S/C20H20N4O2/c25-20(18-7-1-3-10-21-18)23-14-16-6-5-12-24(16)17(15-23)9-13-26-19-8-2-4-11-22-19/h1-8,10-12,17H,9,13-15H2
InChIKeyOCJRDCRIJIMDLH-UHFFFAOYSA-N
XLogP2.94
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-pyridin-2-ylmethanone
CID 131695755
oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 124792122
2-(furan-2-yl)-1-[4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 133141046
(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 124911929
pyrazin-2-yl-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155861062
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
(1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 124815778
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
[(3aS,6aS)-3a-(pyridin-2-yloxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-pyridin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155835365
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
[(4aR,8aR)-4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyridin-2-ylmethanone
CID 97364320

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 133144323) is pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is O=C(c1ccccn1)N1Cc2cccn2C(CCOc2ccccn2)C1.
What is the InChIKey of pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is OCJRDCRIJIMDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-7-1-3-10-21-18)23-14-16-6-5-12-24(16)17(15-23)9-13-26-19-8-2-4-11-22-19/h1-8,10-12,17H,9,13-15H2.
What are the key properties of pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 133144323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).