3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid

C25H18N2O4 — CID 141317091

IUPAC3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(c2ccccc2)c2cc(C(=O)O)c3ccccn23)n2ccccc12
InChIInChI=1S/C25H18N2O4/c28-24(29)17-14-21(26-12-6-4-10-19(17)26)23(16-8-2-1-3-9-16)22-15-18(25(30)31)20-11-5-7-13-27(20)22/h1-15,23H,(H,28,29)(H,30,31)
InChIKeyQOEMORUVOJAPAP-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.77
Rot. Bonds5

About 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid

3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid (PubChem CID 141317091) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
PubChem CID141317091
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(c2ccccc2)c2cc(C(=O)O)c3ccccn23)n2ccccc12
InChIInChI=1S/C25H18N2O4/c28-24(29)17-14-21(26-12-6-4-10-19(17)26)23(16-8-2-1-3-9-16)22-15-18(25(30)31)20-11-5-7-13-27(20)22/h1-15,23H,(H,28,29)(H,30,31)
InChIKeyQOEMORUVOJAPAP-UHFFFAOYSA-N
XLogP4.77
TPSA83.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
1-Methylindole-3-carboxylic acid
CID 854040
3-[2-(Dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
CID 56589667
3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-pyridin-3-yl-1H-indole-6-carboxylic acid
CID 6480928
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-pyridin-4-yl-1H-indole-6-carboxylic acid
CID 6480929
Indolizine-2-carboxylic acid
CID 595143
diselenobis(1H-indole) deriv. 22
CID 5328099
2-[3-Cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
CID 51353128
1-Cyclohexyl-2-phenylindolizine-6-carboxylic acid
CID 16072892

Frequently Asked Questions

What is the IUPAC name of 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid?
The IUPAC name of 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid (CID 141317091) is 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid.
What is the SMILES notation for 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid?
The canonical SMILES for 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid is O=C(O)c1cc(C(c2ccccc2)c2cc(C(=O)O)c3ccccn23)n2ccccc12.
What is the InChIKey of 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid?
The InChIKey is QOEMORUVOJAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c28-24(29)17-14-21(26-12-6-4-10-19(17)26)23(16-8-2-1-3-9-16)22-15-18(25(30)31)20-11-5-7-13-27(20)22/h1-15,23H,(H,28,29)(H,30,31).
What are the key properties of 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid?
3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid has a molecular weight of 410.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid is sourced from PubChem (CID 141317091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).