8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile

C13H13BrN4 — CID 84744210

IUPAC8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(CC2CCCN2)n2cccc(Br)c12
InChIInChI=1S/C13H13BrN4/c14-10-4-2-6-18-12(7-9-3-1-5-16-9)17-11(8-15)13(10)18/h2,4,6,9,16H,1,3,5,7H2
InChIKeyQODZKFWFGYWWQJ-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.26
Rot. Bonds2

About 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile

8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 84744210) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID84744210
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(CC2CCCN2)n2cccc(Br)c12
InChIInChI=1S/C13H13BrN4/c14-10-4-2-6-18-12(7-9-3-1-5-16-9)17-11(8-15)13(10)18/h2,4,6,9,16H,1,3,5,7H2
InChIKeyQODZKFWFGYWWQJ-UHFFFAOYSA-N
XLogP2.26
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 117254727
1-bromo-8-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254720
8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile
CID 84744209
7-(dimethylamino)-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84743087
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735
methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254731
1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 84744462
methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254732
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
CID 84811810
8-fluoro-3-methyl-2-(pyrrolidin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 115039507
2-bromo-6-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 114887698

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile (CID 84744210) is 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(CC2CCCN2)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is QODZKFWFGYWWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c14-10-4-2-6-18-12(7-9-3-1-5-16-9)17-11(8-15)13(10)18/h2,4,6,9,16H,1,3,5,7H2.
What are the key properties of 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile?
8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 305.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 84744210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).