6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile

C22H23ClN6O2S — CID 67496826

IUPAC6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(N4CCN5CCC=C5C4)cc3Cl)C2)n1
InChIInChI=1S/C22H23ClN6O2S/c23-20-10-17(28-9-8-27-6-1-2-18(27)14-28)3-4-21(20)32(30,31)19-5-7-29(15-19)22-13-25-12-16(11-24)26-22/h2-4,10,12-13,19H,1,5-9,14-15H2
InChIKeySYRWGJSVKVYCSK-UHFFFAOYSA-N
MW470.99 g/mol
LogP2.46
Rot. Bonds4

About 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile

6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 67496826) has the molecular formula C22H23ClN6O2S and a molecular weight of 470.99 g/mol. Its IUPAC name is 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID67496826
Molecular FormulaC22H23ClN6O2S
Molecular Weight470.99 g/mol
Exact Mass470.13
IUPAC Name6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(N4CCN5CCC=C5C4)cc3Cl)C2)n1
InChIInChI=1S/C22H23ClN6O2S/c23-20-10-17(28-9-8-27-6-1-2-18(27)14-28)3-4-21(20)32(30,31)19-5-7-29(15-19)22-13-25-12-16(11-24)26-22/h2-4,10,12-13,19H,1,5-9,14-15H2
InChIKeySYRWGJSVKVYCSK-UHFFFAOYSA-N
XLogP2.46
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.99
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3S)-3-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 57334447
2-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrimidine-4-carbonitrile
CID 67495345
6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 57335045
2-[(3S)-3-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorophenyl]sulfonylpyrrolidin-1-yl]pyrimidine-4-carbonitrile
CID 67495342
(2R,4S)-4-(2-chlorophenyl)sulfonyl-1-(6-cyanopyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 67496074
2-chloro-6-[4-[1-(3-chloro-4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]pyrazine
CID 25013817
4-[(3S)-3-(2-chloro-4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-1-yl]-6-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-2-carbonitrile
CID 90378535
4-[3-(2-chloro-4-imidazol-1-ylphenyl)sulfonylpyrrolidin-1-yl]-2-cyano-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 76514311
4-[3-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidin-1-yl]-2-cyanopyrimidine-5-carboxylic acid
CID 67496109
(2S,4S)-4-(2-chlorophenyl)sulfonyl-1-(6-cyanopyrazin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 57335048
2-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine
CID 141328638
6-[4-[3-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 167928523

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 67496826) is 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(N4CCN5CCC=C5C4)cc3Cl)C2)n1.
What is the InChIKey of 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is SYRWGJSVKVYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2S/c23-20-10-17(28-9-8-27-6-1-2-18(27)14-28)3-4-21(20)32(30,31)19-5-7-29(15-19)22-13-25-12-16(11-24)26-22/h2-4,10,12-13,19H,1,5-9,14-15H2.
What are the key properties of 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 470.99 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-chloro-4-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 67496826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).