4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid

C25H18N4O2 — CID 57438921

IUPAC4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(C(=O)O)cc3)c2)n1
InChIInChI=1S/C25H18N4O2/c1-16-5-4-6-20(27-16)23-24(29-14-3-2-7-22(29)28-23)19-12-13-26-21(15-19)17-8-10-18(11-9-17)25(30)31/h2-15H,1H3,(H,30,31)
InChIKeyFRSGSWPLAFVSFG-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.13
Rot. Bonds4

About 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid

4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid (PubChem CID 57438921) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid
PubChem CID57438921
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(C(=O)O)cc3)c2)n1
InChIInChI=1S/C25H18N4O2/c1-16-5-4-6-20(27-16)23-24(29-14-3-2-7-22(29)28-23)19-12-13-26-21(15-19)17-8-10-18(11-9-17)25(30)31/h2-15H,1H3,(H,30,31)
InChIKeyFRSGSWPLAFVSFG-UHFFFAOYSA-N
XLogP5.13
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid (CID 57438921) is 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid is Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(C(=O)O)cc3)c2)n1.
What is the InChIKey of 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid?
The InChIKey is FRSGSWPLAFVSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-16-5-4-6-20(27-16)23-24(29-14-3-2-7-22(29)28-23)19-12-13-26-21(15-19)17-8-10-18(11-9-17)25(30)31/h2-15H,1H3,(H,30,31).
What are the key properties of 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid?
4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid has a molecular weight of 406.45 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 57438921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).