(4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C21H34N2O3 — CID 124893517

IUPAC(4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1cc2n(c1)[C@H](CCOCC1CCOCC1)CN(CC1CCOCC1)C2
InChIInChI=1S/C21H34N2O3/c1-2-20-15-22(14-18-3-9-24-10-4-18)16-21(23(20)8-1)7-13-26-17-19-5-11-25-12-6-19/h1-2,8,18-19,21H,3-7,9-17H2/t21-/m1/s1
InChIKeyLLVPDFPJBNFVCC-OAQYLSRUSA-N
MW362.51 g/mol
LogP3.10
Rot. Bonds7

About (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

(4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 124893517) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID124893517
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name(4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1cc2n(c1)[C@H](CCOCC1CCOCC1)CN(CC1CCOCC1)C2
InChIInChI=1S/C21H34N2O3/c1-2-20-15-22(14-18-3-9-24-10-4-18)16-21(23(20)8-1)7-13-26-17-19-5-11-25-12-6-19/h1-2,8,18-19,21H,3-7,9-17H2/t21-/m1/s1
InChIKeyLLVPDFPJBNFVCC-OAQYLSRUSA-N
XLogP3.10
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
CID 131646922
(1-methylpyrazol-4-yl)-[4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 131644020
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131671998
(1-methylpyrrol-2-yl)-[(7R)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815853
(1-methylpyrrol-2-yl)-[(7S)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815855
(7R)-5-(oxan-4-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911085
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832223
N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine
CID 124824476
(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 124805248
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790492
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
(7R)-7-(ethoxymethyl)-5-[[(3S)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124521580

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 124893517) is (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is c1cc2n(c1)[C@H](CCOCC1CCOCC1)CN(CC1CCOCC1)C2.
What is the InChIKey of (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is LLVPDFPJBNFVCC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-2-20-15-22(14-18-3-9-24-10-4-18)16-21(23(20)8-1)7-13-26-17-19-5-11-25-12-6-19/h1-2,8,18-19,21H,3-7,9-17H2/t21-/m1/s1.
What are the key properties of (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
(4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 362.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(oxan-4-ylmethoxy)ethyl]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 124893517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).