1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid

C23H16ClN3O2 — CID 123204073

IUPAC1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)c2ccccc12
InChIInChI=1S/C23H16ClN3O2/c24-16-10-8-15(9-11-16)22-20(27-12-4-3-7-21(27)25-22)14-26-13-18(23(28)29)17-5-1-2-6-19(17)26/h1-13H,14H2,(H,28,29)
InChIKeyQXHLKEGNDSETGS-UHFFFAOYSA-N
MW401.85 g/mol
LogP5.36
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid

1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid (PubChem CID 123204073) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid
PubChem CID123204073
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)c2ccccc12
InChIInChI=1S/C23H16ClN3O2/c24-16-10-8-15(9-11-16)22-20(27-12-4-3-7-21(27)25-22)14-26-13-18(23(28)29)17-5-1-2-6-19(17)26/h1-13H,14H2,(H,28,29)
InChIKeyQXHLKEGNDSETGS-UHFFFAOYSA-N
XLogP5.36
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid?
The IUPAC name of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid (CID 123204073) is 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid is O=C(O)c1cn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)c2ccccc12.
What is the InChIKey of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid?
The InChIKey is QXHLKEGNDSETGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c24-16-10-8-15(9-11-16)22-20(27-12-4-3-7-21(27)25-22)14-26-13-18(23(28)29)17-5-1-2-6-19(17)26/h1-13H,14H2,(H,28,29).
What are the key properties of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid?
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid has a molecular weight of 401.85 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid is sourced from PubChem (CID 123204073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).