2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane

C22H36FN3O2 — CID 143838727

IUPAC2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane
SMILESCC.CC.COC(C)C(N)C(=O)N1CCCC1Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H24FN3O2.2C2H6/c1-11(24-2)17(20)18(23)22-7-3-4-14(22)8-12-10-21-16-9-13(19)5-6-15(12)16;2*1-2/h5-6,9-11,14,17,21H,3-4,7-8,20H2,1-2H3;2*1-2H3
InChIKeyWJSXVTXKLWHUGC-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.26
Rot. Bonds5

About 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane

2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane (PubChem CID 143838727) has the molecular formula C22H36FN3O2 and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane.

Molecular Properties

Compound Name2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane
PubChem CID143838727
Molecular FormulaC22H36FN3O2
Molecular Weight393.55 g/mol
Exact Mass393.28
IUPAC Name2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane
SMILESCC.CC.COC(C)C(N)C(=O)N1CCCC1Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H24FN3O2.2C2H6/c1-11(24-2)17(20)18(23)22-7-3-4-14(22)8-12-10-21-16-9-13(19)5-6-15(12)16;2*1-2/h5-6,9-11,14,17,21H,3-4,7-8,20H2,1-2H3;2*1-2H3
InChIKeyWJSXVTXKLWHUGC-UHFFFAOYSA-N
XLogP4.26
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane?
The IUPAC name of 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane (CID 143838727) is 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane.
What is the SMILES notation for 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane?
The canonical SMILES for 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane is CC.CC.COC(C)C(N)C(=O)N1CCCC1Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane?
The InChIKey is WJSXVTXKLWHUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2.2C2H6/c1-11(24-2)17(20)18(23)22-7-3-4-14(22)8-12-10-21-16-9-13(19)5-6-15(12)16;2*1-2/h5-6,9-11,14,17,21H,3-4,7-8,20H2,1-2H3;2*1-2H3.
What are the key properties of 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane?
2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane has a molecular weight of 393.55 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one;ethane is sourced from PubChem (CID 143838727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).