1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C22H24N4O3 — CID 166307697

IUPAC1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc2nc(CNC(=O)C3CN(Cc4ccccc4)CC3C(=O)O)cn12
InChIInChI=1S/C22H24N4O3/c1-15-6-5-9-20-24-17(12-26(15)20)10-23-21(27)18-13-25(14-19(18)22(28)29)11-16-7-3-2-4-8-16/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,23,27)(H,28,29)
InChIKeyVATWPSBJPGZXFI-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.09
Rot. Bonds6

About 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 166307697) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID166307697
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc2nc(CNC(=O)C3CN(Cc4ccccc4)CC3C(=O)O)cn12
InChIInChI=1S/C22H24N4O3/c1-15-6-5-9-20-24-17(12-26(15)20)10-23-21(27)18-13-25(14-19(18)22(28)29)11-16-7-3-2-4-8-16/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,23,27)(H,28,29)
InChIKeyVATWPSBJPGZXFI-UHFFFAOYSA-N
XLogP2.09
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-benzyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]azetidine-2-carboxamide
CID 124741418
trans-(1R,2R)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 126810964
2-(2-methoxyphenyl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 56785478
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 121497168
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 119882870
(2R,3S)-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholine-3-carboxamide
CID 120941539
1-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopentane-1-carboxamide
CID 111112321
(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 128984998
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
3-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylbutanamide
CID 110025329
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 166307697) is 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is Cc1cccc2nc(CNC(=O)C3CN(Cc4ccccc4)CC3C(=O)O)cn12.
What is the InChIKey of 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VATWPSBJPGZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-5-9-20-24-17(12-26(15)20)10-23-21(27)18-13-25(14-19(18)22(28)29)11-16-7-3-2-4-8-16/h2-9,12,18-19H,10-11,13-14H2,1H3,(H,23,27)(H,28,29).
What are the key properties of 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166307697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).