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

C12H16F2N2 — CID 162684849

IUPAC3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(cnc2C2CC(F)(F)C2)C1
InChIInChI=1S/C12H16F2N2/c1-8-2-3-16-10(4-8)7-15-11(16)9-5-12(13,14)6-9/h7-9H,2-6H2,1H3
InChIKeyKKPCJCJVHMVVGG-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.98
Rot. Bonds1

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

3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 162684849) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID162684849
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(cnc2C2CC(F)(F)C2)C1
InChIInChI=1S/C12H16F2N2/c1-8-2-3-16-10(4-8)7-15-11(16)9-5-12(13,14)6-9/h7-9H,2-6H2,1H3
InChIKeyKKPCJCJVHMVVGG-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 162684849) is 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCn2c(cnc2C2CC(F)(F)C2)C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is KKPCJCJVHMVVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-8-2-3-16-10(4-8)7-15-11(16)9-5-12(13,14)6-9/h7-9H,2-6H2,1H3.
What are the key properties of 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 226.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 162684849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).