5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one

C25H17FN4O — CID 22031898

IUPAC5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cn34)ccc21
InChIInChI=1S/C25H17FN4O/c26-19-6-1-15(2-7-19)25-21(12-28-29-25)18-5-10-24-27-13-22(30(24)14-18)17-3-8-20-16(11-17)4-9-23(20)31/h1-3,5-8,10-14H,4,9H2,(H,28,29)
InChIKeyFGPMVPPSYJWJMX-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.33
Rot. Bonds3

About 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one

5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one (PubChem CID 22031898) has the molecular formula C25H17FN4O and a molecular weight of 408.44 g/mol. Its IUPAC name is 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one
PubChem CID22031898
Molecular FormulaC25H17FN4O
Molecular Weight408.44 g/mol
Exact Mass408.14
IUPAC Name5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cn34)ccc21
InChIInChI=1S/C25H17FN4O/c26-19-6-1-15(2-7-19)25-21(12-28-29-25)18-5-10-24-27-13-22(30(24)14-18)17-3-8-20-16(11-17)4-9-23(20)31/h1-3,5-8,10-14H,4,9H2,(H,28,29)
InChIKeyFGPMVPPSYJWJMX-UHFFFAOYSA-N
XLogP5.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one (CID 22031898) is 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3cnc4ccc(-c5cn[nH]c5-c5ccc(F)cc5)cn34)ccc21.
What is the InChIKey of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one?
The InChIKey is FGPMVPPSYJWJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O/c26-19-6-1-15(2-7-19)25-21(12-28-29-25)18-5-10-24-27-13-22(30(24)14-18)17-3-8-20-16(11-17)4-9-23(20)31/h1-3,5-8,10-14H,4,9H2,(H,28,29).
What are the key properties of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one?
5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one has a molecular weight of 408.44 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 22031898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).