1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

C21H21N3O4 — CID 119354805

IUPAC1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc2nc(COc3ccccc3C(=O)N3CCC(C(=O)O)C3)cn2c1
InChIInChI=1S/C21H21N3O4/c1-14-6-7-19-22-16(12-24(19)10-14)13-28-18-5-3-2-4-17(18)20(25)23-9-8-15(11-23)21(26)27/h2-7,10,12,15H,8-9,11,13H2,1H3,(H,26,27)
InChIKeySZTHPSHMXWUJTP-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354805) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID119354805
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc2nc(COc3ccccc3C(=O)N3CCC(C(=O)O)C3)cn2c1
InChIInChI=1S/C21H21N3O4/c1-14-6-7-19-22-16(12-24(19)10-14)13-28-18-5-3-2-4-17(18)20(25)23-9-8-15(11-23)21(26)27/h2-7,10,12,15H,8-9,11,13H2,1H3,(H,26,27)
InChIKeySZTHPSHMXWUJTP-UHFFFAOYSA-N
XLogP2.77
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119412488
(3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 122112307
[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 119402980
(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125135028
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354011
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119355381
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24682976
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354683
(3S)-1-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 99638936
N-[1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
CID 167931551
(3-anilinopyrrolidin-1-yl)-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 56503056

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (CID 119354805) is 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is Cc1ccc2nc(COc3ccccc3C(=O)N3CCC(C(=O)O)C3)cn2c1.
What is the InChIKey of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SZTHPSHMXWUJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-6-7-19-22-16(12-24(19)10-14)13-28-18-5-3-2-4-17(18)20(25)23-9-8-15(11-23)21(26)27/h2-7,10,12,15H,8-9,11,13H2,1H3,(H,26,27).
What are the key properties of 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).