3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid

C12H12BrN5O2 — CID 170311521

IUPAC3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncc(Br)c3nccnc23)C1
InChIInChI=1S/C12H12BrN5O2/c13-8-5-16-11(10-9(8)14-2-3-15-10)17-7-1-4-18(6-7)12(19)20/h2-3,5,7H,1,4,6H2,(H,16,17)(H,19,20)
InChIKeyAQXPDXOBMSGODI-UHFFFAOYSA-N
MW338.17 g/mol
LogP1.95
Rot. Bonds2

About 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid

3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 170311521) has the molecular formula C12H12BrN5O2 and a molecular weight of 338.17 g/mol. Its IUPAC name is 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID170311521
Molecular FormulaC12H12BrN5O2
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncc(Br)c3nccnc23)C1
InChIInChI=1S/C12H12BrN5O2/c13-8-5-16-11(10-9(8)14-2-3-15-10)17-7-1-4-18(6-7)12(19)20/h2-3,5,7H,1,4,6H2,(H,16,17)(H,19,20)
InChIKeyAQXPDXOBMSGODI-UHFFFAOYSA-N
XLogP1.95
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
CID 174147997
CID 174147997
(3S)-3-(4-bromoanilino)pyrrolidine-1-carboxylic acid
CID 170189829
tributyl-[5-(trifluoromethyl)-2-pyridinyl]stannane;(3S)-3-[[8-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]pyrrolidine-1-carboxylic acid
CID 174143730
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
(3S)-3-[[8-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]amino]pyrrolidine-1-carboxylic acid
CID 170311448
3-[[3-(tert-butylcarbamoyl)-5-chloro-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 154499612
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 89401167
4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 68730858
tert-butyl (3S)-3-[[8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]pyrrolidine-1-carboxylate
CID 169259324
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310
3-[(5-bromo-1,3-benzoxazol-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 174193660

Frequently Asked Questions

What is the IUPAC name of 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid (CID 170311521) is 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ncc(Br)c3nccnc23)C1.
What is the InChIKey of 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is AQXPDXOBMSGODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O2/c13-8-5-16-11(10-9(8)14-2-3-15-10)17-7-1-4-18(6-7)12(19)20/h2-3,5,7H,1,4,6H2,(H,16,17)(H,19,20).
What are the key properties of 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid?
3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 338.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 170311521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).