4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid

C14H15BrN4O3 — CID 87818802

IUPAC4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2nc(Br)cnc2-n2cccc2)CC1
InChIInChI=1S/C14H15BrN4O3/c15-11-9-16-12(18-5-1-2-6-18)13(17-11)22-10-3-7-19(8-4-10)14(20)21/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21)
InChIKeyUGLIDNDLMKZRPN-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.55
Rot. Bonds3

About 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid

4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid (PubChem CID 87818802) has the molecular formula C14H15BrN4O3 and a molecular weight of 367.20 g/mol. Its IUPAC name is 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid
PubChem CID87818802
Molecular FormulaC14H15BrN4O3
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2nc(Br)cnc2-n2cccc2)CC1
InChIInChI=1S/C14H15BrN4O3/c15-11-9-16-12(18-5-1-2-6-18)13(17-11)22-10-3-7-19(8-4-10)14(20)21/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21)
InChIKeyUGLIDNDLMKZRPN-UHFFFAOYSA-N
XLogP2.55
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-6-bromopyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87370877
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 90774753
4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87848540
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
4-(3-amino-5-bromopyrazin-2-yl)piperazine-1-carboxylic acid
CID 87383897
4-(5-methyl-2-phenoxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
CID 90854596
4-(3-amino-6-pyridin-4-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 67363281
1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 167350868
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
CID 87370649
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid (CID 87818802) is 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2nc(Br)cnc2-n2cccc2)CC1.
What is the InChIKey of 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is UGLIDNDLMKZRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O3/c15-11-9-16-12(18-5-1-2-6-18)13(17-11)22-10-3-7-19(8-4-10)14(20)21/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21).
What are the key properties of 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid?
4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 367.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-pyrrol-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 87818802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).