(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

C18H17BrFN5O2 — CID 86958830

IUPAC(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)n1
InChIInChI=1S/C18H17BrFN5O2/c1-27-17-10-21-9-16(23-17)24-2-4-25(5-3-24)18(26)15-8-12-13(20)6-11(19)7-14(12)22-15/h6-10,22H,2-5H2,1H3
InChIKeyAOCFZCRKAXXZDZ-UHFFFAOYSA-N
MW434.27 g/mol
LogP2.83
Rot. Bonds3

About (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 86958830) has the molecular formula C18H17BrFN5O2 and a molecular weight of 434.27 g/mol. Its IUPAC name is (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID86958830
Molecular FormulaC18H17BrFN5O2
Molecular Weight434.27 g/mol
Exact Mass433.05
IUPAC Name(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)n1
InChIInChI=1S/C18H17BrFN5O2/c1-27-17-10-21-9-16(23-17)24-2-4-25(5-3-24)18(26)15-8-12-13(20)6-11(19)7-14(12)22-15/h6-10,22H,2-5H2,1H3
InChIKeyAOCFZCRKAXXZDZ-UHFFFAOYSA-N
XLogP2.83
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86958970
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958883
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 125132752
[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958909
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259214
N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
CID 86959706
1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882605
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958922
2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
CID 86958960
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (CID 86958830) is (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is COc1cncc(N2CCN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)n1.
What is the InChIKey of (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is AOCFZCRKAXXZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN5O2/c1-27-17-10-21-9-16(23-17)24-2-4-25(5-3-24)18(26)15-8-12-13(20)6-11(19)7-14(12)22-15/h6-10,22H,2-5H2,1H3.
What are the key properties of (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 434.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86958830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).