7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C22H18ClN3O2S2 — CID 141064673

IUPAC7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(-c2ccccn2)s1)N1CCn2c(cc(Cl)c2-c2ccccc2)C1
InChIInChI=1S/C22H18ClN3O2S2/c23-18-14-17-15-25(12-13-26(17)22(18)16-6-2-1-3-7-16)30(27,28)21-10-9-20(29-21)19-8-4-5-11-24-19/h1-11,14H,12-13,15H2
InChIKeyITMNKQGHENAHSS-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.14
Rot. Bonds4

About 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 141064673) has the molecular formula C22H18ClN3O2S2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID141064673
Molecular FormulaC22H18ClN3O2S2
Molecular Weight455.99 g/mol
Exact Mass455.05
IUPAC Name7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(-c2ccccn2)s1)N1CCn2c(cc(Cl)c2-c2ccccc2)C1
InChIInChI=1S/C22H18ClN3O2S2/c23-18-14-17-15-25(12-13-26(17)22(18)16-6-2-1-3-7-16)30(27,28)21-10-9-20(29-21)19-8-4-5-11-24-19/h1-11,14H,12-13,15H2
InChIKeyITMNKQGHENAHSS-UHFFFAOYSA-N
XLogP5.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol
CID 56754287
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CID 142776092
7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 68890733
(3R)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10621006
1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146746
7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid
CID 142776089
N-[(3S)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89236149
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 67970190
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
2-[5-(trifluoromethylsulfonyl)thiophen-2-yl]pyridine
CID 70975076
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
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2-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 141064673) is 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccc(-c2ccccn2)s1)N1CCn2c(cc(Cl)c2-c2ccccc2)C1.
What is the InChIKey of 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ITMNKQGHENAHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S2/c23-18-14-17-15-25(12-13-26(17)22(18)16-6-2-1-3-7-16)30(27,28)21-10-9-20(29-21)19-8-4-5-11-24-19/h1-11,14H,12-13,15H2.
What are the key properties of 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 455.99 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 141064673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).