1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine

C13H16BrN3O — CID 117253004

IUPAC1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
SMILESCOc1cccc2c(Br)nc(CC3CCNC3)n12
InChIInChI=1S/C13H16BrN3O/c1-18-12-4-2-3-10-13(14)16-11(17(10)12)7-9-5-6-15-8-9/h2-4,9,15H,5-8H2,1H3
InChIKeyZRLZYITZUASOJV-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.26
Rot. Bonds3

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

1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117253004) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117253004
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
SMILESCOc1cccc2c(Br)nc(CC3CCNC3)n12
InChIInChI=1S/C13H16BrN3O/c1-18-12-4-2-3-10-13(14)16-11(17(10)12)7-9-5-6-15-8-9/h2-4,9,15H,5-8H2,1H3
InChIKeyZRLZYITZUASOJV-UHFFFAOYSA-N
XLogP2.26
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254778
1-bromo-8-methyl-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254803
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84744304
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161401
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
1-chloro-6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117253632

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine (CID 117253004) is 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine is COc1cccc2c(Br)nc(CC3CCNC3)n12.
What is the InChIKey of 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is ZRLZYITZUASOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-18-12-4-2-3-10-13(14)16-11(17(10)12)7-9-5-6-15-8-9/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 310.19 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117253004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).