1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine

C14H19BrN4 — CID 84605657

IUPAC1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCC(C)c1nc(Br)c2ccc(N3CCNCC3)cn12
InChIInChI=1S/C14H19BrN4/c1-10(2)14-17-13(15)12-4-3-11(9-19(12)14)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyOSPDDGMDVUDQIL-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.63
Rot. Bonds2

About 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine

1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine (PubChem CID 84605657) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine
PubChem CID84605657
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCC(C)c1nc(Br)c2ccc(N3CCNCC3)cn12
InChIInChI=1S/C14H19BrN4/c1-10(2)14-17-13(15)12-4-3-11(9-19(12)14)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyOSPDDGMDVUDQIL-UHFFFAOYSA-N
XLogP2.63
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-5-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine
CID 84605656
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893
1-bromo-3-cyclopropyl-7-piperazin-1-ylimidazo[1,5-a]pyridine
CID 84604563
1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290
2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
CID 82232894
6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 141037384
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678824

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine (CID 84605657) is 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine is CC(C)c1nc(Br)c2ccc(N3CCNCC3)cn12.
What is the InChIKey of 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine?
The InChIKey is OSPDDGMDVUDQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-10(2)14-17-13(15)12-4-3-11(9-19(12)14)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine?
1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine has a molecular weight of 323.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-piperazin-1-yl-3-propan-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 84605657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).