7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid

C12H14BrN3O3 — CID 89486633

IUPAC7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESNC(=O)c1c(Br)c(C2CC2)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C12H14BrN3O3/c13-9-8(11(14)17)7-5-15(12(18)19)3-4-16(7)10(9)6-1-2-6/h6H,1-5H2,(H2,14,17)(H,18,19)
InChIKeyLGDGOHXOXOSXFY-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.72
Rot. Bonds2

About 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid

7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 89486633) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID89486633
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
SMILESNC(=O)c1c(Br)c(C2CC2)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C12H14BrN3O3/c13-9-8(11(14)17)7-5-15(12(18)19)3-4-16(7)10(9)6-1-2-6/h6H,1-5H2,(H2,14,17)(H,18,19)
InChIKeyLGDGOHXOXOSXFY-UHFFFAOYSA-N
XLogP1.72
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 138635844
8-cyano-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 89486449
8-carbamoyl-7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 141064669
7-cyano-2-N-(4-fluorophenyl)-6-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761816
7-chloro-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylic acid;cyclopentylmethanamine
CID 172835325
4-bromo-3-oxopiperidine-1-carboxylic acid;hydrobromide
CID 69158545
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
CID 91231763
3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 150811241
4-amino-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103790
tert-butyl 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 138635797
1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
CID 139530360
6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylic acid
CID 175715833

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid (CID 89486633) is 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid is NC(=O)c1c(Br)c(C2CC2)n2c1CN(C(=O)O)CC2.
What is the InChIKey of 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is LGDGOHXOXOSXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-9-8(11(14)17)7-5-15(12(18)19)3-4-16(7)10(9)6-1-2-6/h6H,1-5H2,(H2,14,17)(H,18,19).
What are the key properties of 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid?
7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 328.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-carbamoyl-6-cyclopropyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 89486633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).