8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C17H27N3O2 — CID 117249728

IUPAC8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCn2c(C3CCN(C(C)C)CC3)nc(C(=O)O)c21
InChIInChI=1S/C17H27N3O2/c1-11(2)19-9-6-13(7-10-19)16-18-14(17(21)22)15-12(3)5-4-8-20(15)16/h11-13H,4-10H2,1-3H3,(H,21,22)
InChIKeyDFTRDUZERZEOQG-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.07
Rot. Bonds3

About 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117249728) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117249728
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCn2c(C3CCN(C(C)C)CC3)nc(C(=O)O)c21
InChIInChI=1S/C17H27N3O2/c1-11(2)19-9-6-13(7-10-19)16-18-14(17(21)22)15-12(3)5-4-8-20(15)16/h11-13H,4-10H2,1-3H3,(H,21,22)
InChIKeyDFTRDUZERZEOQG-UHFFFAOYSA-N
XLogP3.07
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117249728) is 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC1CCCn2c(C3CCN(C(C)C)CC3)nc(C(=O)O)c21.
What is the InChIKey of 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is DFTRDUZERZEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)19-9-6-13(7-10-19)16-18-14(17(21)22)15-12(3)5-4-8-20(15)16/h11-13H,4-10H2,1-3H3,(H,21,22).
What are the key properties of 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117249728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).