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

C13H16ClN3 — CID 117247047

IUPAC3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(Cl)nc(CN3CCCC3)c2c1
InChIInChI=1S/C13H16ClN3/c1-10-4-7-17-12(8-10)11(15-13(17)14)9-16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3
InChIKeyBQRKKCFONUZRMS-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.89
Rot. Bonds2

About 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine

3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117247047) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117247047
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(Cl)nc(CN3CCCC3)c2c1
InChIInChI=1S/C13H16ClN3/c1-10-4-7-17-12(8-10)11(15-13(17)14)9-16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3
InChIKeyBQRKKCFONUZRMS-UHFFFAOYSA-N
XLogP2.89
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
1-chloro-3-(4-chlorophenyl)-7-methylimidazo[1,5-a]pyridine
CID 117252034
1-[(4-methylphenyl)methyl]azepane
CID 3951815
1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117246928
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117247004
7-chloro-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 117256482
1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 83869559
3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
CID 39120553
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine
CID 82343266
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine (CID 117247047) is 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine is Cc1ccn2c(Cl)nc(CN3CCCC3)c2c1.
What is the InChIKey of 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is BQRKKCFONUZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-10-4-7-17-12(8-10)11(15-13(17)14)9-16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3.
What are the key properties of 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine?
3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 249.74 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117247047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).