2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C18H19N3O2S2 — CID 43994321

IUPAC2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCc1ccc(S(=O)(=O)N2CCn3cccc3C2c2cccnc2)s1
InChIInChI=1S/C18H19N3O2S2/c1-2-15-7-8-17(24-15)25(22,23)21-12-11-20-10-4-6-16(20)18(21)14-5-3-9-19-13-14/h3-10,13,18H,2,11-12H2,1H3
InChIKeyYPKPMMJKVABTGN-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.30
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 43994321) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID43994321
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCc1ccc(S(=O)(=O)N2CCn3cccc3C2c2cccnc2)s1
InChIInChI=1S/C18H19N3O2S2/c1-2-15-7-8-17(24-15)25(22,23)21-12-11-20-10-4-6-16(20)18(21)14-5-3-9-19-13-14/h3-10,13,18H,2,11-12H2,1H3
InChIKeyYPKPMMJKVABTGN-UHFFFAOYSA-N
XLogP3.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763986
2-(2,4-difluorophenyl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994316
2-ethylsulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994328
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
(1R)-N-(2,6-diethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7085648
1-phenyl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16803433
4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657636
(1R)-1-(4-fluorophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387066
8-[[(1S)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]quinoline
CID 93057792
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide
CID 97132181
N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
CID 120764100

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 43994321) is 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CCc1ccc(S(=O)(=O)N2CCn3cccc3C2c2cccnc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is YPKPMMJKVABTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-2-15-7-8-17(24-15)25(22,23)21-12-11-20-10-4-6-16(20)18(21)14-5-3-9-19-13-14/h3-10,13,18H,2,11-12H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 373.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)sulfonyl-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 43994321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).