1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine

C12H13Cl2N3 — CID 117254036

IUPAC1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine
SMILESClc1ccn2c(C3CCNCC3)nc(Cl)c2c1
InChIInChI=1S/C12H13Cl2N3/c13-9-3-6-17-10(7-9)11(14)16-12(17)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2
InChIKeyUPNQHPFBHJIXRT-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.11
Rot. Bonds1

About 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine

1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine (PubChem CID 117254036) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine
PubChem CID117254036
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine
SMILESClc1ccn2c(C3CCNCC3)nc(Cl)c2c1
InChIInChI=1S/C12H13Cl2N3/c13-9-3-6-17-10(7-9)11(14)16-12(17)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2
InChIKeyUPNQHPFBHJIXRT-UHFFFAOYSA-N
XLogP3.11
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine (CID 117254036) is 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine is Clc1ccn2c(C3CCNCC3)nc(Cl)c2c1.
What is the InChIKey of 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine?
The InChIKey is UPNQHPFBHJIXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c13-9-3-6-17-10(7-9)11(14)16-12(17)8-1-4-15-5-2-8/h3,6-8,15H,1-2,4-5H2.
What are the key properties of 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine?
1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine has a molecular weight of 270.16 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dichloro-3-piperidin-4-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117254036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).