1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C13H14BrN3 — CID 117248177

IUPAC1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(-c3ccncc3)n21
InChIInChI=1S/C13H14BrN3/c1-9-3-2-4-11-12(14)16-13(17(9)11)10-5-7-15-8-6-10/h5-9H,2-4H2,1H3
InChIKeyXVJTYLLXZTVIGW-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.60
Rot. Bonds1

About 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117248177) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117248177
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(-c3ccncc3)n21
InChIInChI=1S/C13H14BrN3/c1-9-3-2-4-11-12(14)16-13(17(9)11)10-5-7-15-8-6-10/h5-9H,2-4H2,1H3
InChIKeyXVJTYLLXZTVIGW-UHFFFAOYSA-N
XLogP3.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-5-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247910
1-bromo-3-cyclopropyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 83844096
1-bromo-3-cyclopentyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248114
1-chloro-5-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248055
3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247740
2-(1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117247393
1-bromo-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
CID 117247956
3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248073
1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247473
3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117150509
3-(4-bromophenyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117150518
3-(furan-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247687

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117248177) is 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCc2c(Br)nc(-c3ccncc3)n21.
What is the InChIKey of 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is XVJTYLLXZTVIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-3-2-4-11-12(14)16-13(17(9)11)10-5-7-15-8-6-10/h5-9H,2-4H2,1H3.
What are the key properties of 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 292.18 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117248177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).