(5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C19H22N4OS — CID 124813674

IUPAC(5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1ccc(CN2Cc3cncn3[C@H](COCc3ccncc3)C2)s1
InChIInChI=1S/C19H22N4OS/c1-15-2-3-19(25-15)11-22-9-17-8-21-14-23(17)18(10-22)13-24-12-16-4-6-20-7-5-16/h2-8,14,18H,9-13H2,1H3/t18-/m0/s1
InChIKeyJEEOHUOBEDNMMU-SFHVURJKSA-N
MW354.48 g/mol
LogP3.42
Rot. Bonds6

About (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

(5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 124813674) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name(5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID124813674
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1ccc(CN2Cc3cncn3[C@H](COCc3ccncc3)C2)s1
InChIInChI=1S/C19H22N4OS/c1-15-2-3-19(25-15)11-22-9-17-8-21-14-23(17)18(10-22)13-24-12-16-4-6-20-7-5-16/h2-8,14,18H,9-13H2,1H3/t18-/m0/s1
InChIKeyJEEOHUOBEDNMMU-SFHVURJKSA-N
XLogP3.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-7-[(5-methylfuran-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124818211
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-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131654847
2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155865169
1-pyrrolidin-1-yl-2-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]ethanone
CID 131658018
5-(cyclopropylmethoxymethyl)-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131640574
1-[5-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 131646829
(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124797839
7-(ethoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647388
5-[[5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 131646474
(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124915536
5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131639467

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 124813674) is (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1ccc(CN2Cc3cncn3[C@H](COCc3ccncc3)C2)s1.
What is the InChIKey of (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is JEEOHUOBEDNMMU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-15-2-3-19(25-15)11-22-9-17-8-21-14-23(17)18(10-22)13-24-12-16-4-6-20-7-5-16/h2-8,14,18H,9-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
(5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 354.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(5-methylthiophen-2-yl)methyl]-5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 124813674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).