(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C18H24N4O2S — CID 124781090

IUPAC(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccsc2)Cc2cncn21
InChIInChI=1S/C18H24N4O2S/c23-18(20-7-14-1-4-24-5-2-14)17-11-21(9-15-3-6-25-12-15)10-16-8-19-13-22(16)17/h3,6,8,12-14,17H,1-2,4-5,7,9-11H2,(H,20,23)/t17-/m0/s1
InChIKeyAGWWSPASGXWSJH-KRWDZBQOSA-N
MW360.48 g/mol
LogP2.04
Rot. Bonds5

About (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 124781090) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID124781090
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccsc2)Cc2cncn21
InChIInChI=1S/C18H24N4O2S/c23-18(20-7-14-1-4-24-5-2-14)17-11-21(9-15-3-6-25-12-15)10-16-8-19-13-22(16)17/h3,6,8,12-14,17H,1-2,4-5,7,9-11H2,(H,20,23)/t17-/m0/s1
InChIKeyAGWWSPASGXWSJH-KRWDZBQOSA-N
XLogP2.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133137257
7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133141067
7-(oxan-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133137272
7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694410
7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131660552
7-(furan-3-ylmethyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133136983
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97387958
7-(furan-3-ylmethyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131654510
N-(cyclobutylmethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677316
6-(cyclopropylmethoxymethyl)-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155855681
(5R)-N-(cyclopropylmethyl)-7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124782068
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 124781090) is (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccsc2)Cc2cncn21.
What is the InChIKey of (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is AGWWSPASGXWSJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-18(20-7-14-1-4-24-5-2-14)17-11-21(9-15-3-6-25-12-15)10-16-8-19-13-22(16)17/h3,6,8,12-14,17H,1-2,4-5,7,9-11H2,(H,20,23)/t17-/m0/s1.
What are the key properties of (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
(5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 124781090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).