1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H17BrN2O — CID 117247473

IUPAC1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(C3CCOC3)n21
InChIInChI=1S/C12H17BrN2O/c1-8-3-2-4-10-11(13)14-12(15(8)10)9-5-6-16-7-9/h8-9H,2-7H2,1H3
InChIKeyDFNSLDPXKQICKL-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.05
Rot. Bonds1

About 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117247473) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117247473
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Br)nc(C3CCOC3)n21
InChIInChI=1S/C12H17BrN2O/c1-8-3-2-4-10-11(13)14-12(15(8)10)9-5-6-16-7-9/h8-9H,2-7H2,1H3
InChIKeyDFNSLDPXKQICKL-UHFFFAOYSA-N
XLogP3.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149774
1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117248242
2-(1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117247393
1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117249597
1-bromo-5-methyl-3-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248177
1-bromo-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
CID 117247544
1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247485
8-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157615
3-(oxolan-3-yl)-6,7,8,9,10,11-hexahydro-5H-[1,2,4]triazolo[4,3-a]azonine
CID 166264357
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248214

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117247473) is 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCc2c(Br)nc(C3CCOC3)n21.
What is the InChIKey of 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is DFNSLDPXKQICKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-3-2-4-10-11(13)14-12(15(8)10)9-5-6-16-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 285.19 g/mol, XLogP of 3.05, 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-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117247473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).