6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

C13H14ClN3O — CID 84742756

IUPAC6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(CC2CCCN2)n2cc(Cl)ccc12
InChIInChI=1S/C13H14ClN3O/c14-9-3-4-12-11(8-18)16-13(17(12)7-9)6-10-2-1-5-15-10/h3-4,7-8,10,15H,1-2,5-6H2
InChIKeyCWHLWOBPUHPRGC-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.09
Rot. Bonds3

About 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84742756) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84742756
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(CC2CCCN2)n2cc(Cl)ccc12
InChIInChI=1S/C13H14ClN3O/c14-9-3-4-12-11(8-18)16-13(17(12)7-9)6-10-2-1-5-15-10/h3-4,7-8,10,15H,1-2,5-6H2
InChIKeyCWHLWOBPUHPRGC-UHFFFAOYSA-N
XLogP2.09
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 84744462
6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253586
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742339
1-bromo-8-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254720
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
5-(4-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366673
6-(dimethylamino)-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742481
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84742756) is 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(CC2CCCN2)n2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is CWHLWOBPUHPRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-9-3-4-12-11(8-18)16-13(17(12)7-9)6-10-2-1-5-15-10/h3-4,7-8,10,15H,1-2,5-6H2.
What are the key properties of 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 263.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84742756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).