5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

C24H31FN2O — CID 135322449

IUPAC5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C24H31FN2O/c1-3-28-18-23(11-10-20-5-8-22(25)9-6-20)14-15-27(17-23)24(12-13-24)21-7-4-19(2)26-16-21/h4-9,16H,3,10-15,17-18H2,1-2H3
InChIKeyQMWZEMYVGLLVQV-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.88
Rot. Bonds8

About 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (PubChem CID 135322449) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
PubChem CID135322449
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOCC1(CCc2ccc(F)cc2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C24H31FN2O/c1-3-28-18-23(11-10-20-5-8-22(25)9-6-20)14-15-27(17-23)24(12-13-24)21-7-4-19(2)26-16-21/h4-9,16H,3,10-15,17-18H2,1-2H3
InChIKeyQMWZEMYVGLLVQV-UHFFFAOYSA-N
XLogP4.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The IUPAC name of 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (CID 135322449) is 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.
What is the SMILES notation for 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The canonical SMILES for 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is CCOCC1(CCc2ccc(F)cc2)CCN(C2(c3ccc(C)nc3)CC2)C1.
What is the InChIKey of 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The InChIKey is QMWZEMYVGLLVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-3-28-18-23(11-10-20-5-8-22(25)9-6-20)14-15-27(17-23)24(12-13-24)21-7-4-19(2)26-16-21/h4-9,16H,3,10-15,17-18H2,1-2H3.
What are the key properties of 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine has a molecular weight of 382.52 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is sourced from PubChem (CID 135322449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).