2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

C21H24FN3O3 — CID 172898817

IUPAC2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)N1CC2CC2(C(=O)N2CC[C@H](CO)C2)C1
InChIInChI=1S/C21H24FN3O3/c22-16-1-2-17-14(8-23-18(17)6-16)5-19(27)25-10-15-7-21(15,12-25)20(28)24-4-3-13(9-24)11-26/h1-2,6,8,13,15,23,26H,3-5,7,9-12H2/t13-,15?,21?/m0/s1
InChIKeyYZQRZYXJJFSPDB-PCODGMICSA-N
MW385.44 g/mol
LogP1.54
Rot. Bonds4

About 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 172898817) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID172898817
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)N1CC2CC2(C(=O)N2CC[C@H](CO)C2)C1
InChIInChI=1S/C21H24FN3O3/c22-16-1-2-17-14(8-23-18(17)6-16)5-19(27)25-10-15-7-21(15,12-25)20(28)24-4-3-13(9-24)11-26/h1-2,6,8,13,15,23,26H,3-5,7,9-12H2/t13-,15?,21?/m0/s1
InChIKeyYZQRZYXJJFSPDB-PCODGMICSA-N
XLogP1.54
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (CID 172898817) is 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is O=C(Cc1c[nH]c2cc(F)ccc12)N1CC2CC2(C(=O)N2CC[C@H](CO)C2)C1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is YZQRZYXJJFSPDB-PCODGMICSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-16-1-2-17-14(8-23-18(17)6-16)5-19(27)25-10-15-7-21(15,12-25)20(28)24-4-3-13(9-24)11-26/h1-2,6,8,13,15,23,26H,3-5,7,9-12H2/t13-,15?,21?/m0/s1.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 385.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-1-[1-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 172898817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).