7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

C17H17N5OS — CID 124962899

IUPAC7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESNC(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cccnc2)C1
InChIInChI=1S/C17H17N5OS/c18-16(23)15-13(14-17(24-15)21-6-5-20-14)12-3-7-22(10-12)9-11-2-1-4-19-8-11/h1-2,4-6,8,12H,3,7,9-10H2,(H2,18,23)/t12-/m0/s1
InChIKeyHMHICDZVUCYUIJ-LBPRGKRZSA-N
MW339.42 g/mol
LogP2.17
Rot. Bonds4

About 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 124962899) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID124962899
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESNC(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cccnc2)C1
InChIInChI=1S/C17H17N5OS/c18-16(23)15-13(14-17(24-15)21-6-5-20-14)12-3-7-22(10-12)9-11-2-1-4-19-8-11/h1-2,4-6,8,12H,3,7,9-10H2,(H2,18,23)/t12-/m0/s1
InChIKeyHMHICDZVUCYUIJ-LBPRGKRZSA-N
XLogP2.17
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Related Compounds

3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130485
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95830356
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
N,N-dimethyl-7-(1-pyrimidin-4-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
CID 110100786
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 71649668
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
N,N-dimethyl-3-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110090980

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 124962899) is 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is NC(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cccnc2)C1.
What is the InChIKey of 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is HMHICDZVUCYUIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5OS/c18-16(23)15-13(14-17(24-15)21-6-5-20-14)12-3-7-22(10-12)9-11-2-1-4-19-8-11/h1-2,4-6,8,12H,3,7,9-10H2,(H2,18,23)/t12-/m0/s1.
What are the key properties of 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 124962899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).