1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone

C15H18BrN7O — CID 123274834

IUPAC1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(C)N=[N+]=[N-])c(Br)c3cncn23)CC1
InChIInChI=1S/C15H18BrN7O/c1-10(19-20-17)12-7-14(23-9-18-8-13(23)15(12)16)22-5-3-21(4-6-22)11(2)24/h7-10H,3-6H2,1-2H3
InChIKeyTUFFDMUKAUDDGP-UHFFFAOYSA-N
MW392.26 g/mol
LogP3.14
Rot. Bonds3

About 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone

1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone (PubChem CID 123274834) has the molecular formula C15H18BrN7O and a molecular weight of 392.26 g/mol. Its IUPAC name is 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone
PubChem CID123274834
Molecular FormulaC15H18BrN7O
Molecular Weight392.26 g/mol
Exact Mass391.08
IUPAC Name1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(C)N=[N+]=[N-])c(Br)c3cncn23)CC1
InChIInChI=1S/C15H18BrN7O/c1-10(19-20-17)12-7-14(23-9-18-8-13(23)15(12)16)22-5-3-21(4-6-22)11(2)24/h7-10H,3-6H2,1-2H3
InChIKeyTUFFDMUKAUDDGP-UHFFFAOYSA-N
XLogP3.14
TPSA89.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-azido-2-(8-bromoimidazo[1,5-a]pyridin-5-yl)ethyl]piperazin-1-yl]ethanone
CID 123773057
5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide
CID 123464248
2-methyl-1-[4-(3-methylimidazol-4-yl)piperazin-1-yl]propan-1-one
CID 176811378
1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502071
1-[4-(4-azido-2-chlorophenyl)piperazin-1-yl]ethanone
CID 169325203
1-[4-(2-azidophenyl)piperazin-1-yl]ethanone
CID 151820307
1-[4-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956165
1-[4-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956361
1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502067
1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502587
1-[4-[4-(1-aminoethyl)-2-bromophenyl]piperazin-1-yl]ethanone
CID 62907807
1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80766880

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone (CID 123274834) is 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(C)N=[N+]=[N-])c(Br)c3cncn23)CC1.
What is the InChIKey of 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is TUFFDMUKAUDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN7O/c1-10(19-20-17)12-7-14(23-9-18-8-13(23)15(12)16)22-5-3-21(4-6-22)11(2)24/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone?
1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 392.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 123274834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).