2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone

C18H23N5O2 — CID 131659576

IUPAC2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1Cc2cncn2C(COc2ccccn2)C1)N1CCCC1
InChIInChI=1S/C18H23N5O2/c24-18(22-7-3-4-8-22)12-21-10-15-9-19-14-23(15)16(11-21)13-25-17-5-1-2-6-20-17/h1-2,5-6,9,14,16H,3-4,7-8,10-13H2
InChIKeyRYCWMSCDFUIRRI-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.34
Rot. Bonds5

About 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone

2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 131659576) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone
PubChem CID131659576
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1Cc2cncn2C(COc2ccccn2)C1)N1CCCC1
InChIInChI=1S/C18H23N5O2/c24-18(22-7-3-4-8-22)12-21-10-15-9-19-14-23(15)16(11-21)13-25-17-5-1-2-6-20-17/h1-2,5-6,9,14,16H,3-4,7-8,10-13H2
InChIKeyRYCWMSCDFUIRRI-UHFFFAOYSA-N
XLogP1.34
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonyl-1-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 133139399
2-methylsulfonyl-1-[(5R)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783000
(5R)-7-(furan-3-ylmethyl)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124803021
(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124912265
(3-methylfuran-2-yl)-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 131659969
1-pyrrolidin-1-yl-2-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]ethanone
CID 131658018
oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 124792122
2-[[(5R)-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124815731
2-(furan-2-yl)-1-[4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 133141046
2-[[(5R)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124782862
(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133137344
(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 124911929

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone (CID 131659576) is 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1Cc2cncn2C(COc2ccccn2)C1)N1CCCC1.
What is the InChIKey of 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is RYCWMSCDFUIRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(22-7-3-4-8-22)12-21-10-15-9-19-14-23(15)16(11-21)13-25-17-5-1-2-6-20-17/h1-2,5-6,9,14,16H,3-4,7-8,10-13H2.
What are the key properties of 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone?
2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 341.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131659576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).