4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid

C21H15N3O4 — CID 155818513

IUPAC4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3)nc3ccccn23)cc1C(=O)O
InChIInChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28)
InChIKeyRSBAGHOCQVUFFP-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.14
Rot. Bonds5

About 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid

4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid (PubChem CID 155818513) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid.

Molecular Properties

Compound Name4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid
PubChem CID155818513
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid
SMILESO=C(O)c1ccc(Nc2c(-c3ccccc3)nc3ccccn23)cc1C(=O)O
InChIInChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28)
InChIKeyRSBAGHOCQVUFFP-UHFFFAOYSA-N
XLogP4.14
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid?
The IUPAC name of 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid (CID 155818513) is 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid.
What is the SMILES notation for 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid?
The canonical SMILES for 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid is O=C(O)c1ccc(Nc2c(-c3ccccc3)nc3ccccn23)cc1C(=O)O.
What is the InChIKey of 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid?
The InChIKey is RSBAGHOCQVUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28).
What are the key properties of 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid?
4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid has a molecular weight of 373.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phthalic acid is sourced from PubChem (CID 155818513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).