7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H19BrN4O2 — CID 79094059

IUPAC7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCCn1cc(Br)cc1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H19BrN4O2/c1-2-3-17-8-10(15)6-12(17)13(20)18-4-5-19-11(9-18)7-16-14(19)21/h6,8,11H,2-5,7,9H2,1H3,(H,16,21)
InChIKeyOHHSSWNEDDNNSS-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.51
Rot. Bonds3

About 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79094059) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79094059
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCCn1cc(Br)cc1C(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H19BrN4O2/c1-2-3-17-8-10(15)6-12(17)13(20)18-4-5-19-11(9-18)7-16-14(19)21/h6,8,11H,2-5,7,9H2,1H3,(H,16,21)
InChIKeyOHHSSWNEDDNNSS-UHFFFAOYSA-N
XLogP1.51
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79094059) is 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCCn1cc(Br)cc1C(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OHHSSWNEDDNNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-2-3-17-8-10(15)6-12(17)13(20)18-4-5-19-11(9-18)7-16-14(19)21/h6,8,11H,2-5,7,9H2,1H3,(H,16,21).
What are the key properties of 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 355.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-1-propylpyrrole-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79094059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).