5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine

C12H14ClN3 — CID 169206710

IUPAC5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cc(CN2CCCC2)cc2cncn12
InChIInChI=1S/C12H14ClN3/c13-12-6-10(8-15-3-1-2-4-15)5-11-7-14-9-16(11)12/h5-7,9H,1-4,8H2
InChIKeyKHUXLIAHYLHMCN-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.58
Rot. Bonds2

About 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine

5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 169206710) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID169206710
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cc(CN2CCCC2)cc2cncn12
InChIInChI=1S/C12H14ClN3/c13-12-6-10(8-15-3-1-2-4-15)5-11-7-14-9-16(11)12/h5-7,9H,1-4,8H2
InChIKeyKHUXLIAHYLHMCN-UHFFFAOYSA-N
XLogP2.58
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 169206193
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine
CID 89167952
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
zinc;1-(phenylmethyl)piperidine;iodide
CID 170999956
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
CID 170589062
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine (CID 169206710) is 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine is Clc1cc(CN2CCCC2)cc2cncn12.
What is the InChIKey of 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is KHUXLIAHYLHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-12-6-10(8-15-3-1-2-4-15)5-11-7-14-9-16(11)12/h5-7,9H,1-4,8H2.
What are the key properties of 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 235.72 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 169206710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).