N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

C17H16N4O2S2 — CID 124975853

IUPACN-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H16N4O2S2/c1-18-15(22)14-12(13-16(25-14)20-6-5-19-13)10-4-7-21(9-10)17(23)11-3-2-8-24-11/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,22)/t10-/m1/s1
InChIKeyLAZMQCAWPCZZGT-SNVBAGLBSA-N
MW372.48 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 124975853) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID124975853
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC NameN-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H16N4O2S2/c1-18-15(22)14-12(13-16(25-14)20-6-5-19-13)10-4-7-21(9-10)17(23)11-3-2-8-24-11/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,22)/t10-/m1/s1
InChIKeyLAZMQCAWPCZZGT-SNVBAGLBSA-N
XLogP2.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 110100772
N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124973136
N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125015720
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125027316
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125019653
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125006871
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110110280
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 124975853) is N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is LAZMQCAWPCZZGT-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-18-15(22)14-12(13-16(25-14)20-6-5-19-13)10-4-7-21(9-10)17(23)11-3-2-8-24-11/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,22)/t10-/m1/s1.
What are the key properties of N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 124975853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).