(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

C18H17BrFN3O2 — CID 139004982

IUPAC(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCn1cccc1C1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C18H17BrFN3O2/c1-22-4-2-3-16(22)17-10-25-6-5-23(17)18(24)15-9-12-13(20)7-11(19)8-14(12)21-15/h2-4,7-9,17,21H,5-6,10H2,1H3
InChIKeyYICUEBXCYXKCPI-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.62
Rot. Bonds2

About (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (PubChem CID 139004982) has the molecular formula C18H17BrFN3O2 and a molecular weight of 406.26 g/mol. Its IUPAC name is (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
PubChem CID139004982
Molecular FormulaC18H17BrFN3O2
Molecular Weight406.26 g/mol
Exact Mass405.05
IUPAC Name(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCn1cccc1C1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C18H17BrFN3O2/c1-22-4-2-3-16(22)17-10-25-6-5-23(17)18(24)15-9-12-13(20)7-11(19)8-14(12)21-15/h2-4,7-9,17,21H,5-6,10H2,1H3
InChIKeyYICUEBXCYXKCPI-UHFFFAOYSA-N
XLogP3.62
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
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[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 86794071
imidazo[1,2-a]pyridin-7-yl-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 99617785
(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 86794066
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
CID 86794099
6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 86794079
(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 75523575
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 136547926
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 75508325
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (CID 139004982) is (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is Cn1cccc1C1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1.
What is the InChIKey of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The InChIKey is YICUEBXCYXKCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O2/c1-22-4-2-3-16(22)17-10-25-6-5-23(17)18(24)15-9-12-13(20)7-11(19)8-14(12)21-15/h2-4,7-9,17,21H,5-6,10H2,1H3.
What are the key properties of (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone has a molecular weight of 406.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 139004982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).