1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine

C13H16BrN3 — CID 117251632

IUPAC1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(C3CCN(C)C3)nc(Br)c2c1
InChIInChI=1S/C13H16BrN3/c1-9-3-6-17-11(7-9)12(14)15-13(17)10-4-5-16(2)8-10/h3,6-7,10H,4-5,8H2,1-2H3
InChIKeyNHDKRYVMXDEOLR-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.82
Rot. Bonds1

About 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine

1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine (PubChem CID 117251632) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
PubChem CID117251632
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(C3CCN(C)C3)nc(Br)c2c1
InChIInChI=1S/C13H16BrN3/c1-9-3-6-17-11(7-9)12(14)15-13(17)10-4-5-16(2)8-10/h3,6-7,10H,4-5,8H2,1-2H3
InChIKeyNHDKRYVMXDEOLR-UHFFFAOYSA-N
XLogP2.82
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine (CID 117251632) is 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine is Cc1ccn2c(C3CCN(C)C3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine?
The InChIKey is NHDKRYVMXDEOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-3-6-17-11(7-9)12(14)15-13(17)10-4-5-16(2)8-10/h3,6-7,10H,4-5,8H2,1-2H3.
What are the key properties of 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine?
1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine has a molecular weight of 294.20 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117251632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).