5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide

C16H20BrN5O3 — CID 123464248

IUPAC5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide
SMILESCOC(Br)c1cc(C(N)=O)c(N2CCN(C(C)=O)CC2)n2cncc12
InChIInChI=1S/C16H20BrN5O3/c1-10(23)20-3-5-21(6-4-20)16-12(15(18)24)7-11(14(17)25-2)13-8-19-9-22(13)16/h7-9,14H,3-6H2,1-2H3,(H2,18,24)
InChIKeyRHSUSZVTDJGTGV-UHFFFAOYSA-N
MW410.27 g/mol
LogP1.14
Rot. Bonds4

About 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide

5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 123464248) has the molecular formula C16H20BrN5O3 and a molecular weight of 410.27 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide
PubChem CID123464248
Molecular FormulaC16H20BrN5O3
Molecular Weight410.27 g/mol
Exact Mass409.07
IUPAC Name5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide
SMILESCOC(Br)c1cc(C(N)=O)c(N2CCN(C(C)=O)CC2)n2cncc12
InChIInChI=1S/C16H20BrN5O3/c1-10(23)20-3-5-21(6-4-20)16-12(15(18)24)7-11(14(17)25-2)13-8-19-9-22(13)16/h7-9,14H,3-6H2,1-2H3,(H2,18,24)
InChIKeyRHSUSZVTDJGTGV-UHFFFAOYSA-N
XLogP1.14
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[bromo(methoxy)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 91119089
1-[4-[7-(1-azidoethyl)-8-bromoimidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]ethanone
CID 123274834
1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502071
3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 106112141
4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
5-bromo-2-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 155895072
1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
CID 14068999
1-[4-(5-amino-4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 79176493
1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502067
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide
CID 129097450

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide (CID 123464248) is 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide is COC(Br)c1cc(C(N)=O)c(N2CCN(C(C)=O)CC2)n2cncc12.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is RHSUSZVTDJGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O3/c1-10(23)20-3-5-21(6-4-20)16-12(15(18)24)7-11(14(17)25-2)13-8-19-9-22(13)16/h7-9,14H,3-6H2,1-2H3,(H2,18,24).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide?
5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 410.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-8-[bromo(methoxy)methyl]imidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 123464248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).