7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C19H26N4O2S — CID 131660552

IUPAC7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCCc1cccs1)C1CN(CC2CCOCC2)Cc2cncn21
InChIInChI=1S/C19H26N4O2S/c24-19(21-6-3-17-2-1-9-26-17)18-13-22(11-15-4-7-25-8-5-15)12-16-10-20-14-23(16)18/h1-2,9-10,14-15,18H,3-8,11-13H2,(H,21,24)
InChIKeySARGRHCRTWWMIG-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.09
Rot. Bonds6

About 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 131660552) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID131660552
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(NCCc1cccs1)C1CN(CC2CCOCC2)Cc2cncn21
InChIInChI=1S/C19H26N4O2S/c24-19(21-6-3-17-2-1-9-26-17)18-13-22(11-15-4-7-25-8-5-15)12-16-10-20-14-23(16)18/h1-2,9-10,14-15,18H,3-8,11-13H2,(H,21,24)
InChIKeySARGRHCRTWWMIG-UHFFFAOYSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694017
N-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133137257
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
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine
CID 124824476
2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155854390
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
(3aS,6S,7aS)-4-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 133140446
(6S)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 26223777
1-(6-morpholin-4-ylpyridazin-3-yl)-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46329050
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 131660552) is 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is O=C(NCCc1cccs1)C1CN(CC2CCOCC2)Cc2cncn21.
What is the InChIKey of 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SARGRHCRTWWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-19(21-6-3-17-2-1-9-26-17)18-13-22(11-15-4-7-25-8-5-15)12-16-10-20-14-23(16)18/h1-2,9-10,14-15,18H,3-8,11-13H2,(H,21,24).
What are the key properties of 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 131660552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).