(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C13H14BrN3O — CID 37448121

IUPAC(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H14BrN3O/c1-9-12-3-2-4-16(12)5-6-17(9)13(18)11-7-10(14)8-15-11/h2-4,7-9,15H,5-6H2,1H3/t9-/m0/s1
InChIKeyHRMVVNQAMQRRFO-VIFPVBQESA-N
MW308.18 g/mol
LogP2.80
Rot. Bonds1

About (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 37448121) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID37448121
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H14BrN3O/c1-9-12-3-2-4-16(12)5-6-17(9)13(18)11-7-10(14)8-15-11/h2-4,7-9,15H,5-6H2,1H3/t9-/m0/s1
InChIKeyHRMVVNQAMQRRFO-VIFPVBQESA-N
XLogP2.80
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone with MolForge

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 115634507
(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95398985
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
(4-tert-butylphenyl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47022049
(4-tert-butylphenyl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569320
(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95777570
[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95774764
(2E,4E)-1,6-bis(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexa-2,4-diene-1,6-dione
CID 166197770
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569223
(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 43431802
(1,5-dimethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47025599

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 37448121) is (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is C[C@H]1c2cccn2CCN1C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is HRMVVNQAMQRRFO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-12-3-2-4-16(12)5-6-17(9)13(18)11-7-10(14)8-15-11/h2-4,7-9,15H,5-6H2,1H3/t9-/m0/s1.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 308.18 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 37448121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).