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

C14H16ClN3O2 — CID 117253038

IUPAC5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCNC2)n2c(Cl)cccc12
InChIInChI=1S/C14H16ClN3O2/c15-11-5-1-4-10-13(14(19)20)17-12(18(10)11)7-9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6-8H2,(H,19,20)
InChIKeyJTMAQBHPYQDFRC-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.23
Rot. Bonds3

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

5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117253038) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117253038
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CC2CCCNC2)n2c(Cl)cccc12
InChIInChI=1S/C14H16ClN3O2/c15-11-5-1-4-10-13(14(19)20)17-12(18(10)11)7-9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6-8H2,(H,19,20)
InChIKeyJTMAQBHPYQDFRC-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252949
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
7-hydroxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254200
8-amino-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254798
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253630
5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252747
5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252845
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984206
5-methyl-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252973
5-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252921
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117253038) is 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CC2CCCNC2)n2c(Cl)cccc12.
What is the InChIKey of 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is JTMAQBHPYQDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-5-1-4-10-13(14(19)20)17-12(18(10)11)7-9-3-2-6-16-8-9/h1,4-5,9,16H,2-3,6-8H2,(H,19,20).
What are the key properties of 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117253038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).