2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C14H17N3O2S — CID 43994328

IUPAC2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2cccc2C1c1ccncc1
InChIInChI=1S/C14H17N3O2S/c1-2-20(18,19)17-11-10-16-9-3-4-13(16)14(17)12-5-7-15-8-6-12/h3-9,14H,2,10-11H2,1H3
InChIKeyKVRWPGQICNLGIO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.64
Rot. Bonds3

About 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 43994328) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID43994328
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2cccc2C1c1ccncc1
InChIInChI=1S/C14H17N3O2S/c1-2-20(18,19)17-11-10-16-9-3-4-13(16)14(17)12-5-7-15-8-6-12/h3-9,14H,2,10-11H2,1H3
InChIKeyKVRWPGQICNLGIO-UHFFFAOYSA-N
XLogP1.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994070
2-(2,4-difluorophenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994353
2-(2,5-dimethoxyphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994348
1-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42782458
1-phenyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16803433
(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 7387277
N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 18580534
2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994321
(1R)-1-(4-fluorophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387066
(1R)-2-methylsulfonyl-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 93071033
(1S)-2-methylsulfonyl-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 93071032
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553978

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 43994328) is 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CCS(=O)(=O)N1CCn2cccc2C1c1ccncc1.
What is the InChIKey of 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is KVRWPGQICNLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-20(18,19)17-11-10-16-9-3-4-13(16)14(17)12-5-7-15-8-6-12/h3-9,14H,2,10-11H2,1H3.
What are the key properties of 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 291.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 43994328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).