5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine

C16H23N3O — CID 117140458

IUPAC5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine
SMILESCOc1cccc2cnc(C3CCCN(C(C)C)C3)n12
InChIInChI=1S/C16H23N3O/c1-12(2)18-9-5-6-13(11-18)16-17-10-14-7-4-8-15(20-3)19(14)16/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3
InChIKeyKBESSRPFZTYJCZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.93
Rot. Bonds3

About 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine

5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine (PubChem CID 117140458) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine
PubChem CID117140458
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine
SMILESCOc1cccc2cnc(C3CCCN(C(C)C)C3)n12
InChIInChI=1S/C16H23N3O/c1-12(2)18-9-5-6-13(11-18)16-17-10-14-7-4-8-15(20-3)19(14)16/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3
InChIKeyKBESSRPFZTYJCZ-UHFFFAOYSA-N
XLogP2.93
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine (CID 117140458) is 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine is COc1cccc2cnc(C3CCCN(C(C)C)C3)n12.
What is the InChIKey of 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine?
The InChIKey is KBESSRPFZTYJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)18-9-5-6-13(11-18)16-17-10-14-7-4-8-15(20-3)19(14)16/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3.
What are the key properties of 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine?
5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine has a molecular weight of 273.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117140458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).