5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

C23H32N2OS — CID 166506678

IUPAC5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCO[C@H](C)[C@@]1(CCc2cccs2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C23H32N2OS/c1-4-26-19(3)22(10-9-21-6-5-15-27-21)13-14-25(17-22)23(11-12-23)20-8-7-18(2)24-16-20/h5-8,15-16,19H,4,9-14,17H2,1-3H3/t19-,22+/m1/s1
InChIKeyWDJGWKJMBHVMGC-KNQAVFIVSA-N
MW384.59 g/mol
LogP5.19
Rot. Bonds8

About 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (PubChem CID 166506678) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
PubChem CID166506678
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC Name5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCO[C@H](C)[C@@]1(CCc2cccs2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C23H32N2OS/c1-4-26-19(3)22(10-9-21-6-5-15-27-21)13-14-25(17-22)23(11-12-23)20-8-7-18(2)24-16-20/h5-8,15-16,19H,4,9-14,17H2,1-3H3/t19-,22+/m1/s1
InChIKeyWDJGWKJMBHVMGC-KNQAVFIVSA-N
XLogP5.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135322805
5-[1-[(3S)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 166506578
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031
5-[2-[(3S)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 166506710
5-[2-[(3R)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 135322784
(2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine
CID 175820792
5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135323289
5-[2-[(3R)-3-(difluoromethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 175820731
3-[2-[(3S)-3-(ethoxymethyl)-1-[1-(6-methyl-3-pyridinyl)cyclopropyl]pyrrolidin-3-yl]ethyl]-1H-imidazol-2-one
CID 140909083
1-[1-(2-thiophen-2-ylethyl)cyclopropyl]ethanol
CID 106798156
2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
CID 175845814
5-[2-[3-[ethoxy(pyridin-4-yl)methyl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 162430683

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The IUPAC name of 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (CID 166506678) is 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.
What is the SMILES notation for 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The canonical SMILES for 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is CCO[C@H](C)[C@@]1(CCc2cccs2)CCN(C2(c3ccc(C)nc3)CC2)C1.
What is the InChIKey of 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The InChIKey is WDJGWKJMBHVMGC-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H32N2OS/c1-4-26-19(3)22(10-9-21-6-5-15-27-21)13-14-25(17-22)23(11-12-23)20-8-7-18(2)24-16-20/h5-8,15-16,19H,4,9-14,17H2,1-3H3/t19-,22+/m1/s1.
What are the key properties of 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine has a molecular weight of 384.59 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is sourced from PubChem (CID 166506678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).