1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine

C14H18BrN3 — CID 84744304

IUPAC1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1cccn2c(CC3CCNCC3)nc(Br)c12
InChIInChI=1S/C14H18BrN3/c1-10-3-2-8-18-12(17-14(15)13(10)18)9-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyZSEHRAGZCGMMOO-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.95
Rot. Bonds2

About 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine

1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 84744304) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID84744304
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1cccn2c(CC3CCNCC3)nc(Br)c12
InChIInChI=1S/C14H18BrN3/c1-10-3-2-8-18-12(17-14(15)13(10)18)9-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyZSEHRAGZCGMMOO-UHFFFAOYSA-N
XLogP2.95
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-8-methyl-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254803
1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254778
1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
CID 84744964
8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 115053231
1-bromo-8-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254720
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
1-bromo-8-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
CID 84744303
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 105489731
methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254781
1-bromo-8-methyl-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine
CID 117252348
3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 117254173
1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 84636845

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine (CID 84744304) is 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine is Cc1cccn2c(CC3CCNCC3)nc(Br)c12.
What is the InChIKey of 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is ZSEHRAGZCGMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10-3-2-8-18-12(17-14(15)13(10)18)9-11-4-6-16-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine?
1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 308.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 84744304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).