3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C24H21N3O4 — CID 67432387

IUPAC3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)n2c1-c1ccccc1
InChIInChI=1S/C24H21N3O4/c1-16(25-24(30)31-15-17-9-4-2-5-10-17)21-22(18-11-6-3-7-12-18)27-19(23(28)29)13-8-14-20(27)26-21/h2-14,16H,15H2,1H3,(H,25,30)(H,28,29)
InChIKeyZWKDDYBBHBZNHU-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.69
Rot. Bonds6

About 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 67432387) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID67432387
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)n2c1-c1ccccc1
InChIInChI=1S/C24H21N3O4/c1-16(25-24(30)31-15-17-9-4-2-5-10-17)21-22(18-11-6-3-7-12-18)27-19(23(28)29)13-8-14-20(27)26-21/h2-14,16H,15H2,1H3,(H,25,30)(H,28,29)
InChIKeyZWKDDYBBHBZNHU-UHFFFAOYSA-N
XLogP4.69
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-phenyl-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 58459381
benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
CID 67433032
benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
CID 67432906
benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
CID 58796844
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
CID 10804659
5-[1-(phenylmethoxycarbonylamino)ethyl]-1H-pyrazole-3-carboxylic acid
CID 167742564
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
CID 11701995
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 67432387) is 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is CC(NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)O)n2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is ZWKDDYBBHBZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16(25-24(30)31-15-17-9-4-2-5-10-17)21-22(18-11-6-3-7-12-18)27-19(23(28)29)13-8-14-20(27)26-21/h2-14,16H,15H2,1H3,(H,25,30)(H,28,29).
What are the key properties of 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 67432387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).