3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine

C13H18N4 — CID 83840549

IUPAC3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ncc2cccc(CN3CCNCC3)n12
InChIInChI=1S/C13H18N4/c1-11-15-9-12-3-2-4-13(17(11)12)10-16-7-5-14-6-8-16/h2-4,9,14H,5-8,10H2,1H3
InChIKeyJJNRBPTYOIKMLK-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine

3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 83840549) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID83840549
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ncc2cccc(CN3CCNCC3)n12
InChIInChI=1S/C13H18N4/c1-11-15-9-12-3-2-4-13(17(11)12)10-16-7-5-14-6-8-16/h2-4,9,14H,5-8,10H2,1H3
InChIKeyJJNRBPTYOIKMLK-UHFFFAOYSA-N
XLogP1.05
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-piperidin-4-ylimidazo[1,5-a]pyridine
CID 83835722
N-methyl-1-(3-methylimidazo[1,5-a]pyridin-5-yl)methanamine
CID 83827498
1-[(1-ethylpyrrol-2-yl)methyl]piperazine
CID 82505182
1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
CID 82623000
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
2-methyl-4-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 82510160
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
2-amino-3-(3-methylimidazo[1,5-a]pyridin-5-yl)propanoic acid
CID 83836983
5-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine
CID 83894473
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
7-methyl-2-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 79601557

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine (CID 83840549) is 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine is Cc1ncc2cccc(CN3CCNCC3)n12.
What is the InChIKey of 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is JJNRBPTYOIKMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-15-9-12-3-2-4-13(17(11)12)10-16-7-5-14-6-8-16/h2-4,9,14H,5-8,10H2,1H3.
What are the key properties of 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine?
3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 230.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 83840549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).