8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C15H19N3O3 — CID 117254731

IUPAC8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1cccn2c(CC3CCCCN3)nc(C(=O)O)c12
InChIInChI=1S/C15H19N3O3/c1-21-11-6-4-8-18-12(9-10-5-2-3-7-16-10)17-13(14(11)18)15(19)20/h4,6,8,10,16H,2-3,5,7,9H2,1H3,(H,19,20)
InChIKeyCHUFFOBCDUMECQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.73
Rot. Bonds4

About 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254731) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254731
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1cccn2c(CC3CCCCN3)nc(C(=O)O)c12
InChIInChI=1S/C15H19N3O3/c1-21-11-6-4-8-18-12(9-10-5-2-3-7-16-10)17-13(14(11)18)15(19)20/h4,6,8,10,16H,2-3,5,7,9H2,1H3,(H,19,20)
InChIKeyCHUFFOBCDUMECQ-UHFFFAOYSA-N
XLogP1.73
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254732
methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
1-bromo-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 117254727
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
methyl 3-(piperidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147604
6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253586
5-methyl-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252973
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
5-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252965
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254731) is 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is COc1cccn2c(CC3CCCCN3)nc(C(=O)O)c12.
What is the InChIKey of 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is CHUFFOBCDUMECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-11-6-4-8-18-12(9-10-5-2-3-7-16-10)17-13(14(11)18)15(19)20/h4,6,8,10,16H,2-3,5,7,9H2,1H3,(H,19,20).
What are the key properties of 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).