(4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium

C23H17F2N5O+2 — CID 163586589

IUPAC(4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium
SMILESO=C([NH2+]c1ccc(F)cc1)c1ccc(-c2cnc3ccc(C4=C[NH2+]N=C4)cn23)cc1F
InChIInChI=1S/C23H15F2N5O/c24-17-3-5-18(6-4-17)29-23(31)19-7-1-14(9-20(19)25)21-12-26-22-8-2-15(13-30(21)22)16-10-27-28-11-16/h1-13H,(H,27,28)(H,29,31)/p+2
InChIKeyGLZRZYUQJCLASQ-UHFFFAOYSA-P
MW417.42 g/mol
LogP2.22
Rot. Bonds4

About (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium

(4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium (PubChem CID 163586589) has the molecular formula C23H17F2N5O+2 and a molecular weight of 417.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium
PubChem CID163586589
Molecular FormulaC23H17F2N5O+2
Molecular Weight417.42 g/mol
Exact Mass417.14
IUPAC Name(4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium
SMILESO=C([NH2+]c1ccc(F)cc1)c1ccc(-c2cnc3ccc(C4=C[NH2+]N=C4)cn23)cc1F
InChIInChI=1S/C23H15F2N5O/c24-17-3-5-18(6-4-17)29-23(31)19-7-1-14(9-20(19)25)21-12-26-22-8-2-15(13-30(21)22)16-10-27-28-11-16/h1-13H,(H,27,28)(H,29,31)/p+2
InChIKeyGLZRZYUQJCLASQ-UHFFFAOYSA-P
XLogP2.22
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium?
The IUPAC name of (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium (CID 163586589) is (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium.
What is the SMILES notation for (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium?
The canonical SMILES for (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium is O=C([NH2+]c1ccc(F)cc1)c1ccc(-c2cnc3ccc(C4=C[NH2+]N=C4)cn23)cc1F.
What is the InChIKey of (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium?
The InChIKey is GLZRZYUQJCLASQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H15F2N5O/c24-17-3-5-18(6-4-17)29-23(31)19-7-1-14(9-20(19)25)21-12-26-22-8-2-15(13-30(21)22)16-10-27-28-11-16/h1-13H,(H,27,28)(H,29,31)/p+2.
What are the key properties of (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium?
(4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium has a molecular weight of 417.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-fluoro-4-[6-(1H-pyrazol-1-ium-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoyl]azanium is sourced from PubChem (CID 163586589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).