N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide

C12H13BrN4O — CID 122140381

IUPACN-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cn2cc(Br)ncc2n1)C1CC1
InChIInChI=1S/C12H13BrN4O/c1-7(8-2-3-8)12(18)16-10-6-17-5-9(13)14-4-11(17)15-10/h4-8H,2-3H2,1H3,(H,16,18)
InChIKeyHUAGQPGWKCKBEV-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.48
Rot. Bonds3

About N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide

N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide (PubChem CID 122140381) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide
PubChem CID122140381
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC NameN-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cn2cc(Br)ncc2n1)C1CC1
InChIInChI=1S/C12H13BrN4O/c1-7(8-2-3-8)12(18)16-10-6-17-5-9(13)14-4-11(17)15-10/h4-8H,2-3H2,1H3,(H,16,18)
InChIKeyHUAGQPGWKCKBEV-UHFFFAOYSA-N
XLogP2.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide (CID 122140381) is N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide is CC(C(=O)Nc1cn2cc(Br)ncc2n1)C1CC1.
What is the InChIKey of N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide?
The InChIKey is HUAGQPGWKCKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7(8-2-3-8)12(18)16-10-6-17-5-9(13)14-4-11(17)15-10/h4-8H,2-3H2,1H3,(H,16,18).
What are the key properties of N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide?
N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide has a molecular weight of 309.17 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 122140381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).