1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one

C15H22N4O2 — CID 164638352

IUPAC1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC[C@H]1C(=O)N1CCn2cncc2C1
InChIInChI=1S/C15H22N4O2/c1-2-4-14(20)19-6-3-5-13(19)15(21)17-7-8-18-11-16-9-12(18)10-17/h9,11,13H,2-8,10H2,1H3/t13-/m0/s1
InChIKeyDJOIKHPPJPBNCH-ZDUSSCGKSA-N
MW290.37 g/mol
LogP1.02
Rot. Bonds3

About 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one

1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 164638352) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one
PubChem CID164638352
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC[C@H]1C(=O)N1CCn2cncc2C1
InChIInChI=1S/C15H22N4O2/c1-2-4-14(20)19-6-3-5-13(19)15(21)17-7-8-18-11-16-9-12(18)10-17/h9,11,13H,2-8,10H2,1H3/t13-/m0/s1
InChIKeyDJOIKHPPJPBNCH-ZDUSSCGKSA-N
XLogP1.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one (CID 164638352) is 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCC[C@H]1C(=O)N1CCn2cncc2C1.
What is the InChIKey of 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is DJOIKHPPJPBNCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-4-14(20)19-6-3-5-13(19)15(21)17-7-8-18-11-16-9-12(18)10-17/h9,11,13H,2-8,10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one?
1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 290.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 164638352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).