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

C14H16ClN3O2 — CID 117253586

IUPAC6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCCN2)n2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O2/c15-9-4-5-11-13(14(19)20)17-12(18(11)8-9)7-10-3-1-2-6-16-10/h4-5,8,10,16H,1-3,6-7H2,(H,19,20)
InChIKeyKEFQDJMCNNUYMG-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.37
Rot. Bonds3

About 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117253586) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117253586
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCCN2)n2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O2/c15-9-4-5-11-13(14(19)20)17-12(18(11)8-9)7-10-3-1-2-6-16-10/h4-5,8,10,16H,1-3,6-7H2,(H,19,20)
InChIKeyKEFQDJMCNNUYMG-UHFFFAOYSA-N
XLogP2.37
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253630
1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 84744462
5-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252965
6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742756
6-chloro-3-[(cyclopentylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255326
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578
5-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252949
5-methyl-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252973
3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253553
6-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253410
3-(2-carboxyethyl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743042

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117253586) is 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CC2CCCCN2)n2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KEFQDJMCNNUYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-9-4-5-11-13(14(19)20)17-12(18(11)8-9)7-10-3-1-2-6-16-10/h4-5,8,10,16H,1-3,6-7H2,(H,19,20).
What are the key properties of 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117253586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).