[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone

C19H18N2O2S — CID 136587831

IUPAC[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
SMILESO=C(c1cc2ccncc2s1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H18N2O2S/c22-16-12-21(11-15(16)8-13-4-2-1-3-5-13)19(23)17-9-14-6-7-20-10-18(14)24-17/h1-7,9-10,15-16,22H,8,11-12H2/t15-,16-/m1/s1
InChIKeyGHRLPFOKQQXYPX-HZPDHXFCSA-N
MW338.43 g/mol
LogP2.97
Rot. Bonds3

About [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone

[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone (PubChem CID 136587831) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
PubChem CID136587831
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
SMILESO=C(c1cc2ccncc2s1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H18N2O2S/c22-16-12-21(11-15(16)8-13-4-2-1-3-5-13)19(23)17-9-14-6-7-20-10-18(14)24-17/h1-7,9-10,15-16,22H,8,11-12H2/t15-,16-/m1/s1
InChIKeyGHRLPFOKQQXYPX-HZPDHXFCSA-N
XLogP2.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone with MolForge

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Related Compounds

1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
(3-fluoro-4-pyridinyl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155917184
N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 136587839
6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 136587827
3-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 135089713
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1-benzothiophen-2-yl)methanone
CID 155509807
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 166282515
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone
CID 136587823
(5-chlorothiophen-2-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 134700251
1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601176
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105088

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
The IUPAC name of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone (CID 136587831) is [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone.
What is the SMILES notation for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
The canonical SMILES for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone is O=C(c1cc2ccncc2s1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1.
What is the InChIKey of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
The InChIKey is GHRLPFOKQQXYPX-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-16-12-21(11-15(16)8-13-4-2-1-3-5-13)19(23)17-9-14-6-7-20-10-18(14)24-17/h1-7,9-10,15-16,22H,8,11-12H2/t15-,16-/m1/s1.
What are the key properties of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone?
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone is sourced from PubChem (CID 136587831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).