(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

C14H15ClN2O2S — CID 22143587

IUPAC(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C14H15ClN2O2S/c1-19-8-9-3-2-6-17(9)14(18)12-7-11-13(20-12)10(15)4-5-16-11/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJZVXCSRSYPZURP-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.20
Rot. Bonds3

About (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 22143587) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID22143587
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C14H15ClN2O2S/c1-19-8-9-3-2-6-17(9)14(18)12-7-11-13(20-12)10(15)4-5-16-11/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJZVXCSRSYPZURP-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 22143587) is (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCCN1C(=O)c1cc2nccc(Cl)c2s1.
What is the InChIKey of (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JZVXCSRSYPZURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-8-9-3-2-6-17(9)14(18)12-7-11-13(20-12)10(15)4-5-16-11/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 310.81 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22143587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).