3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine

C19H25FN2OS — CID 135322575

IUPAC3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine
SMILESCCOC[C@]1(CCc2ccc(F)s2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C19H25FN2OS/c1-2-23-15-19(8-7-17-5-6-18(20)24-17)9-11-22(14-19)13-16-4-3-10-21-12-16/h3-6,10,12H,2,7-9,11,13-15H2,1H3/t19-/m1/s1
InChIKeyHPHCOFBXKOPTOU-LJQANCHMSA-N
MW348.49 g/mol
LogP4.14
Rot. Bonds8

About 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine

3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 135322575) has the molecular formula C19H25FN2OS and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID135322575
Molecular FormulaC19H25FN2OS
Molecular Weight348.49 g/mol
Exact Mass348.17
IUPAC Name3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine
SMILESCCOC[C@]1(CCc2ccc(F)s2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C19H25FN2OS/c1-2-23-15-19(8-7-17-5-6-18(20)24-17)9-11-22(14-19)13-16-4-3-10-21-12-16/h3-6,10,12H,2,7-9,11,13-15H2,1H3/t19-/m1/s1
InChIKeyHPHCOFBXKOPTOU-LJQANCHMSA-N
XLogP4.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine (CID 135322575) is 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine is CCOC[C@]1(CCc2ccc(F)s2)CCN(Cc2cccnc2)C1.
What is the InChIKey of 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is HPHCOFBXKOPTOU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25FN2OS/c1-2-23-15-19(8-7-17-5-6-18(20)24-17)9-11-22(14-19)13-16-4-3-10-21-12-16/h3-6,10,12H,2,7-9,11,13-15H2,1H3/t19-/m1/s1.
What are the key properties of 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine?
3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 348.49 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 135322575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).