2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine

C19H22N4 — CID 143853768

IUPAC2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1c[nH]c2ncc(-c3cccc(N4CCC(C)(C)C4)c3)nc12
InChIInChI=1S/C19H22N4/c1-13-10-20-18-17(13)22-16(11-21-18)14-5-4-6-15(9-14)23-8-7-19(2,3)12-23/h4-6,9-11H,7-8,12H2,1-3H3,(H,20,21)
InChIKeyHUDFOLHLCUVWEG-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.17
Rot. Bonds2

About 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine

2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 143853768) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID143853768
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1c[nH]c2ncc(-c3cccc(N4CCC(C)(C)C4)c3)nc12
InChIInChI=1S/C19H22N4/c1-13-10-20-18-17(13)22-16(11-21-18)14-5-4-6-15(9-14)23-8-7-19(2,3)12-23/h4-6,9-11H,7-8,12H2,1-3H3,(H,20,21)
InChIKeyHUDFOLHLCUVWEG-UHFFFAOYSA-N
XLogP4.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine 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

2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773
carbamoyl 1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-3-methylpyrrolidine-3-carboxylate
CID 90732484
1-[2-[3-(2,2-dioxo-2λ6-thia-7-azaspiro[4.4]nonan-7-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540745
3-[2-[3-(2,8-diazaspiro[4.5]decan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropanal
CID 87520977
cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 141340830
3,3-dimethyl-4-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]butan-2-one
CID 68626844
[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
CID 67375971
1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone
CID 141340885
2-[3-[2-(dimethylamino)ethoxy]-5-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-(3-hydroxy-2,2-dimethylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59541016
1-[2-[3-(3-methoxypyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59541040
1-[2-[3-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540650
2,2-dimethyl-1-[2-[3-[(1S,5R)-1-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 59540714

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine (CID 143853768) is 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine is Cc1c[nH]c2ncc(-c3cccc(N4CCC(C)(C)C4)c3)nc12.
What is the InChIKey of 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is HUDFOLHLCUVWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-10-20-18-17(13)22-16(11-21-18)14-5-4-6-15(9-14)23-8-7-19(2,3)12-23/h4-6,9-11H,7-8,12H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 306.41 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 143853768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).