2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

C25H22N4O5 — CID 23996010

IUPAC2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccn2c(NCc3ccccc3)c(-c3ccc4c(c3)OCO4)nc12)C(=O)O
InChIInChI=1S/C25H22N4O5/c1-15(25(31)32)27-24(30)18-8-5-11-29-22(18)28-21(17-9-10-19-20(12-17)34-14-33-19)23(29)26-13-16-6-3-2-4-7-16/h2-12,15,26H,13-14H2,1H3,(H,27,30)(H,31,32)
InChIKeyHVIZPDQCDHYJBT-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.55
Rot. Bonds7

About 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid

2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (PubChem CID 23996010) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
PubChem CID23996010
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccn2c(NCc3ccccc3)c(-c3ccc4c(c3)OCO4)nc12)C(=O)O
InChIInChI=1S/C25H22N4O5/c1-15(25(31)32)27-24(30)18-8-5-11-29-22(18)28-21(17-9-10-19-20(12-17)34-14-33-19)23(29)26-13-16-6-3-2-4-7-16/h2-12,15,26H,13-14H2,1H3,(H,27,30)(H,31,32)
InChIKeyHVIZPDQCDHYJBT-UHFFFAOYSA-N
XLogP3.55
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carboxamide
CID 23963571
methyl 2-[[8-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23996618
2-[[3-(tert-butylamino)-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
CID 23966551
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
CID 42738374
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-chloropropanoate
CID 3899423
2-[[3-(2,6-dimethylanilino)-2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
CID 23936290
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 42738420
(2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoic acid
CID 908999
N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 10026023
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
methyl 2-[[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 23768915

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid (CID 23996010) is 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is CC(NC(=O)c1cccn2c(NCc3ccccc3)c(-c3ccc4c(c3)OCO4)nc12)C(=O)O.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
The InChIKey is HVIZPDQCDHYJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-15(25(31)32)27-24(30)18-8-5-11-29-22(18)28-21(17-9-10-19-20(12-17)34-14-33-19)23(29)26-13-16-6-3-2-4-7-16/h2-12,15,26H,13-14H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid?
2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid has a molecular weight of 458.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid is sourced from PubChem (CID 23996010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).