[1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid

C13H13BrClN5O2 — CID 89477663

About [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid

[1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (PubChem CID 89477663) has the molecular formula C13H13BrClN5O2 and a molecular weight of 386.64 g/mol. Its IUPAC name is [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.

Molecular Properties

• Compound Name: [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
• PubChem CID: 89477663
• Molecular Formula: C13H13BrClN5O2
• Molecular Weight: 386.64 g/mol
• Exact Mass: 384.99
• IUPAC Name: [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
• SMILES: Cc1nc2nc(N3CC(N(C)C(=O)O)C3)c(Cl)nc2cc1Br
• InChI: InChI=1S/C13H13BrClN5O2/c1-6-8(14)3-9-11(16-6)18-12(10(15)17-9)20-4-7(5-20)19(2)13(21)22/h3,7H,4-5H2,1-2H3,(H,21,22)
• InChIKey: VROAKTUMEUZPLU-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.64
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?

The IUPAC name of [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (CID 89477663) is [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.

What is the SMILES notation for [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?

The canonical SMILES for [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is Cc1nc2nc(N3CC(N(C)C(=O)O)C3)c(Cl)nc2cc1Br.

What is the InChIKey of [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?

The InChIKey is VROAKTUMEUZPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN5O2/c1-6-8(14)3-9-11(16-6)18-12(10(15)17-9)20-4-7(5-20)19(2)13(21)22/h3,7H,4-5H2,1-2H3,(H,21,22).

What are the key properties of [1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?

[1-(7-bromo-2-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid has a molecular weight of 386.64 g/mol, XLogP of 2.55, 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-chloro-6-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 89477663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).