3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine

C18H19FN4 — CID 117236217

IUPAC3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1ncc2cc(N3CCNCC3)ccn12
InChIInChI=1S/C18H19FN4/c19-17-4-2-1-3-14(17)11-18-21-13-16-12-15(5-8-23(16)18)22-9-6-20-7-10-22/h1-5,8,12-13,20H,6-7,9-11H2
InChIKeyDSBUKDPZOFSCAL-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.47
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine

3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine (PubChem CID 117236217) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine
PubChem CID117236217
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1ncc2cc(N3CCNCC3)ccn12
InChIInChI=1S/C18H19FN4/c19-17-4-2-1-3-14(17)11-18-21-13-16-12-15(5-8-23(16)18)22-9-6-20-7-10-22/h1-5,8,12-13,20H,6-7,9-11H2
InChIKeyDSBUKDPZOFSCAL-UHFFFAOYSA-N
XLogP2.47
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine (CID 117236217) is 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine is Fc1ccccc1Cc1ncc2cc(N3CCNCC3)ccn12.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine?
The InChIKey is DSBUKDPZOFSCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-17-4-2-1-3-14(17)11-18-21-13-16-12-15(5-8-23(16)18)22-9-6-20-7-10-22/h1-5,8,12-13,20H,6-7,9-11H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine?
3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine has a molecular weight of 310.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-7-piperazin-1-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117236217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).