1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid

C16H21N3O2 — CID 106978769

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1cn2ccccc2n1
InChIInChI=1S/C16H21N3O2/c1-2-7-16(15(20)21)8-5-10-19(16)12-13-11-18-9-4-3-6-14(18)17-13/h3-4,6,9,11H,2,5,7-8,10,12H2,1H3,(H,20,21)
InChIKeyNXMSXVHOTVMNKT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds5

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978769) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978769
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1cn2ccccc2n1
InChIInChI=1S/C16H21N3O2/c1-2-7-16(15(20)21)8-5-10-19(16)12-13-11-18-9-4-3-6-14(18)17-13/h3-4,6,9,11H,2,5,7-8,10,12H2,1H3,(H,20,21)
InChIKeyNXMSXVHOTVMNKT-UHFFFAOYSA-N
XLogP2.55
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-2-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979080
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631712
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978887
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
CID 107408411
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978885
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
(4aS,8aR)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95576057
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979077
1-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146565
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid
CID 114189454
1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978686
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978863

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978769) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1Cc1cn2ccccc2n1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is NXMSXVHOTVMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-7-16(15(20)21)8-5-10-19(16)12-13-11-18-9-4-3-6-14(18)17-13/h3-4,6,9,11H,2,5,7-8,10,12H2,1H3,(H,20,21).
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).