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

C19H23N3O3 — CID 124792122

IUPACoxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(C1CCOCC1)N1Cc2cccn2[C@H](COc2ccccn2)C1
InChIInChI=1S/C19H23N3O3/c23-19(15-6-10-24-11-7-15)21-12-16-4-3-9-22(16)17(13-21)14-25-18-5-1-2-8-20-18/h1-5,8-9,15,17H,6-7,10-14H2/t17-/m0/s1
InChIKeyISLPSUPGBYHEIL-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.27
Rot. Bonds4

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

oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 124792122) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID124792122
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameoxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESO=C(C1CCOCC1)N1Cc2cccn2[C@H](COc2ccccn2)C1
InChIInChI=1S/C19H23N3O3/c23-19(15-6-10-24-11-7-15)21-12-16-4-3-9-22(16)17(13-21)14-25-18-5-1-2-8-20-18/h1-5,8-9,15,17H,6-7,10-14H2/t17-/m0/s1
InChIKeyISLPSUPGBYHEIL-KRWDZBQOSA-N
XLogP2.27
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-1-[4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 133141046
(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
pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 133144323
2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone
CID 131659576
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
(3-methylfuran-2-yl)-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 131659969
(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124912265
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
(1-methylpyrazol-4-yl)-[4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 131644020
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 124792122) is oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is O=C(C1CCOCC1)N1Cc2cccn2[C@H](COc2ccccn2)C1.
What is the InChIKey of oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is ISLPSUPGBYHEIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(15-6-10-24-11-7-15)21-12-16-4-3-9-22(16)17(13-21)14-25-18-5-1-2-8-20-18/h1-5,8-9,15,17H,6-7,10-14H2/t17-/m0/s1.
What are the key properties of oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(4S)-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 124792122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).