2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid

C22H15FN4O3 — CID 91001798

IUPAC2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)cc1F
InChIInChI=1S/C22H15FN4O3/c23-17-10-14(2-4-16(17)22(29)30)26-18-5-6-19(27-8-7-24-20(18)27)12-1-3-15-13(9-12)11-25-21(15)28/h1-11,25-26,28H,(H,29,30)
InChIKeyAVORHXLBZDLDAZ-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.77
Rot. Bonds4

About 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid

2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid (PubChem CID 91001798) has the molecular formula C22H15FN4O3 and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
PubChem CID91001798
Molecular FormulaC22H15FN4O3
Molecular Weight402.39 g/mol
Exact Mass402.11
IUPAC Name2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)cc1F
InChIInChI=1S/C22H15FN4O3/c23-17-10-14(2-4-16(17)22(29)30)26-18-5-6-19(27-8-7-24-20(18)27)12-1-3-15-13(9-12)11-25-21(15)28/h1-11,25-26,28H,(H,29,30)
InChIKeyAVORHXLBZDLDAZ-UHFFFAOYSA-N
XLogP4.77
TPSA102.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid (CID 91001798) is 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2ccc(-c3ccc4c(O)[nH]cc4c3)n3ccnc23)cc1F.
What is the InChIKey of 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
The InChIKey is AVORHXLBZDLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3/c23-17-10-14(2-4-16(17)22(29)30)26-18-5-6-19(27-8-7-24-20(18)27)12-1-3-15-13(9-12)11-25-21(15)28/h1-11,25-26,28H,(H,29,30).
What are the key properties of 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid?
2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid has a molecular weight of 402.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-(1-hydroxy-2H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzoic acid is sourced from PubChem (CID 91001798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).