[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C18H24N4O3S — CID 70726831

IUPAC[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCCCN1CCN(C(=O)c2cn3ccc(C)cc3n2)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C18H24N4O3S/c1-3-5-20-7-8-22(16-12-26(24,25)11-15(16)20)18(23)14-10-21-6-4-13(2)9-17(21)19-14/h4,6,9-10,15-16H,3,5,7-8,11-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyPFQLYOLIMRPBTL-CVEARBPZSA-N
MW376.48 g/mol
LogP0.98
Rot. Bonds3

About [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 70726831) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID70726831
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCCCN1CCN(C(=O)c2cn3ccc(C)cc3n2)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C18H24N4O3S/c1-3-5-20-7-8-22(16-12-26(24,25)11-15(16)20)18(23)14-10-21-6-4-13(2)9-17(21)19-14/h4,6,9-10,15-16H,3,5,7-8,11-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyPFQLYOLIMRPBTL-CVEARBPZSA-N
XLogP0.98
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone with MolForge

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Related Compounds

(2,5-dimethylphenyl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone
CID 78086513
[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(4-hydroxyphenyl)methanone
CID 70762788
(2,5-dimethyl-1,3-oxazol-4-yl)-(6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)methanone
CID 78084524
[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 70710006
[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-pyridin-3-ylmethanone
CID 70772016
[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70734684
[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 70749076
3-[(4aR,7aS)-4-(1-ethylpyrazole-3-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propanoic acid
CID 72934451
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
1-[(4aR,7aS)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-1-one
CID 70707101
(2S,4R)-4-fluoro-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 120965369
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55385830

Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 70726831) is [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is CCCN1CCN(C(=O)c2cn3ccc(C)cc3n2)[C@H]2CS(=O)(=O)C[C@H]21.
What is the InChIKey of [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is PFQLYOLIMRPBTL-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-5-20-7-8-22(16-12-26(24,25)11-15(16)20)18(23)14-10-21-6-4-13(2)9-17(21)19-14/h4,6,9-10,15-16H,3,5,7-8,11-12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 376.48 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-6,6-dioxo-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 70726831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).