7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide

C20H19FN4O2S — CID 125019653

IUPAC7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C20H19FN4O2S/c1-24(2)20(27)17-15(16-18(28-17)23-8-7-22-16)13-6-9-25(11-13)19(26)12-4-3-5-14(21)10-12/h3-5,7-8,10,13H,6,9,11H2,1-2H3/t13-/m1/s1
InChIKeyXXNASZRVAXRFAK-CYBMUJFWSA-N
MW398.46 g/mol
LogP3.16
Rot. Bonds3

About 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide

7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 125019653) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID125019653
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C20H19FN4O2S/c1-24(2)20(27)17-15(16-18(28-17)23-8-7-22-16)13-6-9-25(11-13)19(26)12-4-3-5-14(21)10-12/h3-5,7-8,10,13H,6,9,11H2,1-2H3/t13-/m1/s1
InChIKeyXXNASZRVAXRFAK-CYBMUJFWSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide 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

N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125027316
N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125006871
7-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 110100782
7-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125003638
7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125003637
7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 110100772
N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
CID 110100777
7-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 110110160
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124975853
N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124973136
3-fluoro-N-[(4R)-1-(3-fluorobenzoyl)azepan-4-yl]-N-methylbenzamide
CID 97060954

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide (CID 125019653) is 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide is CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is XXNASZRVAXRFAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-24(2)20(27)17-15(16-18(28-17)23-8-7-22-16)13-6-9-25(11-13)19(26)12-4-3-5-14(21)10-12/h3-5,7-8,10,13H,6,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide?
7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 125019653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).