(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

C12H11ClN2O3S — CID 23401168

IUPAC(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2nccc(Cl)c2s1)N1C[C@H](O)[C@@H](O)C1
InChIInChI=1S/C12H11ClN2O3S/c13-6-1-2-14-7-3-10(19-11(6)7)12(18)15-4-8(16)9(17)5-15/h1-3,8-9,16-17H,4-5H2/t8-,9-/m0/s1
InChIKeyKQKYXVMLQUWCNK-IUCAKERBSA-N
MW298.75 g/mol
LogP1.13
Rot. Bonds1

About (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (PubChem CID 23401168) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
PubChem CID23401168
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2nccc(Cl)c2s1)N1C[C@H](O)[C@@H](O)C1
InChIInChI=1S/C12H11ClN2O3S/c13-6-1-2-14-7-3-10(19-11(6)7)12(18)15-4-8(16)9(17)5-15/h1-3,8-9,16-17H,4-5H2/t8-,9-/m0/s1
InChIKeyKQKYXVMLQUWCNK-IUCAKERBSA-N
XLogP1.13
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (CID 23401168) is (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is O=C(c1cc2nccc(Cl)c2s1)N1C[C@H](O)[C@@H](O)C1.
What is the InChIKey of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The InChIKey is KQKYXVMLQUWCNK-IUCAKERBSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-6-1-2-14-7-3-10(19-11(6)7)12(18)15-4-8(16)9(17)5-15/h1-3,8-9,16-17H,4-5H2/t8-,9-/m0/s1.
What are the key properties of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone has a molecular weight of 298.75 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 23401168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).