8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine

C16H22ClN3 — CID 117146417

IUPAC8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine
SMILESCC(C)N1CCC(Cc2ncc3c(Cl)cccn23)CC1
InChIInChI=1S/C16H22ClN3/c1-12(2)19-8-5-13(6-9-19)10-16-18-11-15-14(17)4-3-7-20(15)16/h3-4,7,11-13H,5-6,8-10H2,1-2H3
InChIKeyRKSFYAZLBYXFEO-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.65
Rot. Bonds3

About 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine

8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine (PubChem CID 117146417) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine
PubChem CID117146417
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine
SMILESCC(C)N1CCC(Cc2ncc3c(Cl)cccn23)CC1
InChIInChI=1S/C16H22ClN3/c1-12(2)19-8-5-13(6-9-19)10-16-18-11-15-14(17)4-3-7-20(15)16/h3-4,7,11-13H,5-6,8-10H2,1-2H3
InChIKeyRKSFYAZLBYXFEO-UHFFFAOYSA-N
XLogP3.65
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine (CID 117146417) is 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine is CC(C)N1CCC(Cc2ncc3c(Cl)cccn23)CC1.
What is the InChIKey of 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine?
The InChIKey is RKSFYAZLBYXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-12(2)19-8-5-13(6-9-19)10-16-18-11-15-14(17)4-3-7-20(15)16/h3-4,7,11-13H,5-6,8-10H2,1-2H3.
What are the key properties of 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine?
8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine has a molecular weight of 291.83 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 117146417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).