(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid

C20H19N3O4 — CID 119371541

IUPAC(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C20H19N3O4/c24-19(23-10-4-7-17(23)20(25)26)14-5-3-6-16(11-14)27-13-15-12-22-9-2-1-8-18(22)21-15/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,25,26)/t17-/m1/s1
InChIKeyWWKHBTGIDLREAR-QGZVFWFLSA-N
MW365.39 g/mol
LogP2.60
Rot. Bonds5

About (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371541) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371541
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C20H19N3O4/c24-19(23-10-4-7-17(23)20(25)26)14-5-3-6-16(11-14)27-13-15-12-22-9-2-1-8-18(22)21-15/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,25,26)/t17-/m1/s1
InChIKeyWWKHBTGIDLREAR-QGZVFWFLSA-N
XLogP2.60
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 51930186
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 51930185
cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 56512574
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 124691184
[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119594920
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 126791881
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 120659116
[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56533058
N-cyclopropyl-2-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 55457840
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
N-(1-benzylpiperidin-4-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24541999

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid (CID 119371541) is (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WWKHBTGIDLREAR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19(23-10-4-7-17(23)20(25)26)14-5-3-6-16(11-14)27-13-15-12-22-9-2-1-8-18(22)21-15/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).