(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid

C15H17N3O3 — CID 122116730

IUPAC(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc2cncn2c1
InChIInChI=1S/C15H17N3O3/c1-10-13(15(20)21)3-2-6-18(10)14(19)11-4-5-12-7-16-9-17(12)8-11/h4-5,7-10,13H,2-3,6H2,1H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyFPCADPAYRREUMJ-ZWNOBZJWSA-N
MW287.32 g/mol
LogP1.66
Rot. Bonds2

About (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122116730) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122116730
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc2cncn2c1
InChIInChI=1S/C15H17N3O3/c1-10-13(15(20)21)3-2-6-18(10)14(19)11-4-5-12-7-16-9-17(12)8-11/h4-5,7-10,13H,2-3,6H2,1H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyFPCADPAYRREUMJ-ZWNOBZJWSA-N
XLogP1.66
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

imidazo[1,5-a]pyridin-6-yl-[(2S)-2-(1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 167842016
(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122115093
(2R,3R)-1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115497
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(2S,3S)-1-[4-[ethyl(propyl)amino]benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116337
(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115249
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
(2S,3S)-1-[4-(ethylsulfanylmethyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115591
(2R,3R)-2-methyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-3-carboxylic acid
CID 122115512
(2R,3R)-1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116009
(2R,3R)-2-methyl-1-[4-(3,3,3-trifluoropropyl)benzoyl]piperidine-3-carboxylic acid
CID 122116558
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid (CID 122116730) is (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc2cncn2c1.
What is the InChIKey of (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is FPCADPAYRREUMJ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-13(15(20)21)3-2-6-18(10)14(19)11-4-5-12-7-16-9-17(12)8-11/h4-5,7-10,13H,2-3,6H2,1H3,(H,20,21)/t10-,13-/m1/s1.
What are the key properties of (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122116730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).