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

C14H15ClN2O3S — CID 89449369

IUPAC(7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3nccc(Cl)c3s2)C1
InChIInChI=1S/C14H15ClN2O3S/c1-20-9-4-8(7-18)17(6-9)14(19)12-5-11-13(21-12)10(15)2-3-16-11/h2-3,5,8-9,18H,4,6-7H2,1H3/t8-,9+/m0/s1
InChIKeyPOTZNOACIGYGNH-DTWKUNHWSA-N
MW326.81 g/mol
LogP2.17
Rot. Bonds3

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

(7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone (PubChem CID 89449369) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
PubChem CID89449369
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3nccc(Cl)c3s2)C1
InChIInChI=1S/C14H15ClN2O3S/c1-20-9-4-8(7-18)17(6-9)14(19)12-5-11-13(21-12)10(15)2-3-16-11/h2-3,5,8-9,18H,4,6-7H2,1H3/t8-,9+/m0/s1
InChIKeyPOTZNOACIGYGNH-DTWKUNHWSA-N
XLogP2.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 22143587
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 69369255
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 23401168
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 23595107
(2-chlorofuran-3-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128984908
(2-chloro-4-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985191
(4-bromo-3-chlorophenyl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128984758
methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate
CID 59424429
(2-chloro-4,5-difluorophenyl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128990376
(2-bromo-4-chlorophenyl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128984756
(2-bromofuran-3-yl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985269
2-(2,4-dichlorophenoxy)-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]ethanone
CID 128984906

Frequently Asked Questions

What is the IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone (CID 89449369) is (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone is CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3nccc(Cl)c3s2)C1.
What is the InChIKey of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
The InChIKey is POTZNOACIGYGNH-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-20-9-4-8(7-18)17(6-9)14(19)12-5-11-13(21-12)10(15)2-3-16-11/h2-3,5,8-9,18H,4,6-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone?
(7-chlorothieno[3,2-b]pyridin-2-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone has a molecular weight of 326.81 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 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)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 89449369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).