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

C12H18BrN3 — CID 117248968

IUPAC1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(C3CCNC3)nc(Br)c2C1
InChIInChI=1S/C12H18BrN3/c1-8-3-5-16-10(6-8)11(13)15-12(16)9-2-4-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyCARYMTOBOLUJSB-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.30
Rot. Bonds1

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

1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117248968) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117248968
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(C3CCNC3)nc(Br)c2C1
InChIInChI=1S/C12H18BrN3/c1-8-3-5-16-10(6-8)11(13)15-12(16)9-2-4-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyCARYMTOBOLUJSB-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117248968) is 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCn2c(C3CCNC3)nc(Br)c2C1.
What is the InChIKey of 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is CARYMTOBOLUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-3-5-16-10(6-8)11(13)15-12(16)9-2-4-14-7-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 284.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117248968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).