(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone

HCID 44199730

Notes Reactions

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Basic information

CAS: 1184852-24-1
Standard SMILES: CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCC1
InChIKey: CHTUASWDDGPFEG-UHFFFAOYSA-N
Molecular formula: C14H16BrN3O
Average molar mass: 322.2 g/mol
Monoisotopic mass: 321.04767

Names & identifiers

Preferred name: (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone
IUPAC: (2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone

Names & synonyms

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone1184852-24-1SCHEMBL651420CHTUASWDDGPFEG-UHFFFAOYSA-NDTXSID401159086(2-Bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)(1-methylcyclohexyl)methanone

Database identifiers

CAS: 1184852-24-1
PubChem CID: 44199730
DTXSID: DTXSID401159086

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 357

Related reactions

31 records

New reaction record

HRID 100912As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101786As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107813As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111618As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 135513As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 142523As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 173094As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 547472As reactantuspto-grants-2011_05

Compound notes

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