2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine

C17H21N3O — CID 126424979

IUPAC2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
SMILESCO[C@@H](C)c1cccc(-c2nccnc2N2CCCC2)c1
InChIInChI=1S/C17H21N3O/c1-13(21-2)14-6-5-7-15(12-14)16-17(19-9-8-18-16)20-10-3-4-11-20/h5-9,12-13H,3-4,10-11H2,1-2H3/t13-/m0/s1
InChIKeyFXXDXRFVIMBBDR-ZDUSSCGKSA-N
MW283.38 g/mol
LogP3.45
Rot. Bonds4

About 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine

2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine (PubChem CID 126424979) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Name2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
PubChem CID126424979
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
SMILESCO[C@@H](C)c1cccc(-c2nccnc2N2CCCC2)c1
InChIInChI=1S/C17H21N3O/c1-13(21-2)14-6-5-7-15(12-14)16-17(19-9-8-18-16)20-10-3-4-11-20/h5-9,12-13H,3-4,10-11H2,1-2H3/t13-/m0/s1
InChIKeyFXXDXRFVIMBBDR-ZDUSSCGKSA-N
XLogP3.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine 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

3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74235800
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839946
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863
[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
CID 119065535
N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847636
1-(5-chloro-2-methoxyphenyl)-3-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71840001
6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 126434033
1-(3-methylsulfanylphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839924
2-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 68594464
ethyl 4-[[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]carbamoylamino]benzoate
CID 71839987

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine?
The IUPAC name of 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine (CID 126424979) is 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine?
The canonical SMILES for 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine is CO[C@@H](C)c1cccc(-c2nccnc2N2CCCC2)c1.
What is the InChIKey of 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine?
The InChIKey is FXXDXRFVIMBBDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(21-2)14-6-5-7-15(12-14)16-17(19-9-8-18-16)20-10-3-4-11-20/h5-9,12-13H,3-4,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine?
2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine has a molecular weight of 283.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 126424979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).