4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine

C21H25FN4OS — CID 69084253

IUPAC4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine
SMILESFc1cc(-c2cc(N3CCOC(CN4CCNCC4)C3)cs2)c2cc[nH]c2c1
InChIInChI=1S/C21H25FN4OS/c22-15-9-19(18-1-2-24-20(18)10-15)21-11-16(14-28-21)26-7-8-27-17(13-26)12-25-5-3-23-4-6-25/h1-2,9-11,14,17,23-24H,3-8,12-13H2
InChIKeyZXSZECJXJGHJMS-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.15
Rot. Bonds4

About 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine

4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine (PubChem CID 69084253) has the molecular formula C21H25FN4OS and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine
PubChem CID69084253
Molecular FormulaC21H25FN4OS
Molecular Weight400.52 g/mol
Exact Mass400.17
IUPAC Name4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine
SMILESFc1cc(-c2cc(N3CCOC(CN4CCNCC4)C3)cs2)c2cc[nH]c2c1
InChIInChI=1S/C21H25FN4OS/c22-15-9-19(18-1-2-24-20(18)10-15)21-11-16(14-28-21)26-7-8-27-17(13-26)12-25-5-3-23-4-6-25/h1-2,9-11,14,17,23-24H,3-8,12-13H2
InChIKeyZXSZECJXJGHJMS-UHFFFAOYSA-N
XLogP3.15
TPSA43.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine with MolForge

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Related Compounds

PI-3065
CID 24937012
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d
CID 5329364
(2-Methyl-1H-indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 10434122
2-({4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-2-yl]-benzyl}-methyl-amino)-ethanol
CID 18382794
(1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 18382861
2-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-2-yl]-benzylamino}-ethanol
CID 18382902
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155526720
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155534839
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole
CID 155549761
N-(3-(3-morpholinopropyl)-1H-indol-5-yl)thiophene-2-carboximidamide
CID 15951191
4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine
CID 122432189
N-(1-(3-Morpholinopropyl)-1H-indol-5-yl)thiophene-2-carboximidamide
CID 24758918

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine?
The IUPAC name of 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine (CID 69084253) is 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine?
The canonical SMILES for 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine is Fc1cc(-c2cc(N3CCOC(CN4CCNCC4)C3)cs2)c2cc[nH]c2c1.
What is the InChIKey of 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine?
The InChIKey is ZXSZECJXJGHJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4OS/c22-15-9-19(18-1-2-24-20(18)10-15)21-11-16(14-28-21)26-7-8-27-17(13-26)12-25-5-3-23-4-6-25/h1-2,9-11,14,17,23-24H,3-8,12-13H2.
What are the key properties of 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine?
4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine has a molecular weight of 400.52 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine is sourced from PubChem (CID 69084253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).