7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine

C13H16N2OS — CID 84584836

IUPAC7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine
SMILESCOCC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C13H16N2OS/c1-16-9-10-3-6-15(8-10)12-2-5-14-11-4-7-17-13(11)12/h2,4-5,7,10H,3,6,8-9H2,1H3
InChIKeyNSTBIUFIGFXXCC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.77
Rot. Bonds3

About 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine

7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine (PubChem CID 84584836) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine
PubChem CID84584836
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine
SMILESCOCC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C13H16N2OS/c1-16-9-10-3-6-15(8-10)12-2-5-14-11-4-7-17-13(11)12/h2,4-5,7,10H,3,6,8-9H2,1H3
InChIKeyNSTBIUFIGFXXCC-UHFFFAOYSA-N
XLogP2.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-Thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methyl]morpholine
CID 71978109
7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine
CID 164631337
7-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]thieno[3,2-b]pyridine
CID 164631889
Thieno(3,2-b)pyridin-7-amine
CID 13554806
N,N-dimethyl-1-thieno[3,2-b]pyridin-7-ylpyrrolidine-2-carboxamide
CID 71862569
2-(1-Thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol
CID 118740630
7-(4-Methyl-1,4-diazepan-1-yl)thieno[3,2-b]pyridine
CID 71871284
2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)thieno(3,2-b)pyridine
CID 137935462
tert-butyl N-methyl-N-(thieno(3,2-b)pyridin-7-yl)carbamate
CID 137964185
2-ethoxy-N-methyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)ethanamine
CID 75483974
N-[(2S)-1-methoxypropan-2-yl]thieno[3,2-b]pyridin-7-amine
CID 97221215
[4-[(Thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol
CID 122150172

Frequently Asked Questions

What is the IUPAC name of 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine (CID 84584836) is 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine is COCC1CCN(c2ccnc3ccsc23)C1.
What is the InChIKey of 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
The InChIKey is NSTBIUFIGFXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-9-10-3-6-15(8-10)12-2-5-14-11-4-7-17-13(11)12/h2,4-5,7,10H,3,6,8-9H2,1H3.
What are the key properties of 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine?
7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine has a molecular weight of 248.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 84584836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).