5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C15H12BrFN4 — CID 125141234

IUPAC5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@H]2c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C15H12BrFN4/c16-12-4-3-10(6-13(12)17)14-2-1-5-21(14)15-9-19-11(7-18)8-20-15/h3-4,6,8-9,14H,1-2,5H2/t14-/m0/s1
InChIKeyRUVZHVVYYDRONL-AWEZNQCLSA-N
MW347.19 g/mol
LogP3.59
Rot. Bonds2

About 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 125141234) has the molecular formula C15H12BrFN4 and a molecular weight of 347.19 g/mol. Its IUPAC name is 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID125141234
Molecular FormulaC15H12BrFN4
Molecular Weight347.19 g/mol
Exact Mass346.02
IUPAC Name5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@H]2c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C15H12BrFN4/c16-12-4-3-10(6-13(12)17)14-2-1-5-21(14)15-9-19-11(7-18)8-20-15/h3-4,6,8-9,14H,1-2,5H2/t14-/m0/s1
InChIKeyRUVZHVVYYDRONL-AWEZNQCLSA-N
XLogP3.59
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-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

5-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 167901533
5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 99802734
5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485866
5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129491902
5-[2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 127909683
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51886207
5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 146380808
5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133485562
2-[6-[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-pyridinyl]acetonitrile
CID 99778539
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133485263

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 125141234) is 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC[C@H]2c2ccc(Br)c(F)c2)cn1.
What is the InChIKey of 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is RUVZHVVYYDRONL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12BrFN4/c16-12-4-3-10(6-13(12)17)14-2-1-5-21(14)15-9-19-11(7-18)8-20-15/h3-4,6,8-9,14H,1-2,5H2/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 347.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-bromo-3-fluorophenyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 125141234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).