5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one

C14H17N3O3S — CID 60959101

IUPAC5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one
SMILESCc1ccc2n1CCN(S(=O)(=O)c1ccc(=O)[nH]c1)C2C
InChIInChI=1S/C14H17N3O3S/c1-10-3-5-13-11(2)17(8-7-16(10)13)21(19,20)12-4-6-14(18)15-9-12/h3-6,9,11H,7-8H2,1-2H3,(H,15,18)
InChIKeyUVUFYSWPOZSVAI-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.25
Rot. Bonds2

About 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one

5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one (PubChem CID 60959101) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one
PubChem CID60959101
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one
SMILESCc1ccc2n1CCN(S(=O)(=O)c1ccc(=O)[nH]c1)C2C
InChIInChI=1S/C14H17N3O3S/c1-10-3-5-13-11(2)17(8-7-16(10)13)21(19,20)12-4-6-14(18)15-9-12/h3-6,9,11H,7-8H2,1-2H3,(H,15,18)
InChIKeyUVUFYSWPOZSVAI-UHFFFAOYSA-N
XLogP1.25
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 60639396
2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole
CID 61041259
5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1H-pyridin-2-one
CID 60958990
(1R)-2-(2-methoxy-5-methylphenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8799665
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
CID 66063399
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559
5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-1H-pyridin-2-one
CID 60959467
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 110865706

Frequently Asked Questions

What is the IUPAC name of 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one (CID 60959101) is 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one is Cc1ccc2n1CCN(S(=O)(=O)c1ccc(=O)[nH]c1)C2C.
What is the InChIKey of 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one?
The InChIKey is UVUFYSWPOZSVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-3-5-13-11(2)17(8-7-16(10)13)21(19,20)12-4-6-14(18)15-9-12/h3-6,9,11H,7-8H2,1-2H3,(H,15,18).
What are the key properties of 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one?
5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one has a molecular weight of 307.38 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-2-one is sourced from PubChem (CID 60959101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).