[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid

C12H11BrClN5O2 — CID 89477531

IUPAC[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CN(c2nc3ncc(Br)cc3nc2Cl)C1
InChIInChI=1S/C12H11BrClN5O2/c1-18(12(20)21)7-4-19(5-7)11-9(14)16-8-2-6(13)3-15-10(8)17-11/h2-3,7H,4-5H2,1H3,(H,20,21)
InChIKeyVAUFQEYXWXACRZ-UHFFFAOYSA-N
MW372.61 g/mol
LogP2.24
Rot. Bonds2

About [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid

[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (PubChem CID 89477531) has the molecular formula C12H11BrClN5O2 and a molecular weight of 372.61 g/mol. Its IUPAC name is [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
PubChem CID89477531
Molecular FormulaC12H11BrClN5O2
Molecular Weight372.61 g/mol
Exact Mass370.98
IUPAC Name[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CN(c2nc3ncc(Br)cc3nc2Cl)C1
InChIInChI=1S/C12H11BrClN5O2/c1-18(12(20)21)7-4-19(5-7)11-9(14)16-8-2-6(13)3-15-10(8)17-11/h2-3,7H,4-5H2,1H3,(H,20,21)
InChIKeyVAUFQEYXWXACRZ-UHFFFAOYSA-N
XLogP2.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The IUPAC name of [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (CID 89477531) is [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is CN(C(=O)O)C1CN(c2nc3ncc(Br)cc3nc2Cl)C1.
What is the InChIKey of [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The InChIKey is VAUFQEYXWXACRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN5O2/c1-18(12(20)21)7-4-19(5-7)11-9(14)16-8-2-6(13)3-15-10(8)17-11/h2-3,7H,4-5H2,1H3,(H,20,21).
What are the key properties of [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
[1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid has a molecular weight of 372.61 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 89477531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).