3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one

C22H12F2N2O3 — CID 127255334

IUPAC3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1c(-c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C22H12F2N2O3/c23-14-9-8-12(11-15(14)24)19-20(26-10-4-3-7-17(26)25-19)18-21(27)13-5-1-2-6-16(13)29-22(18)28/h1-11,27H
InChIKeyGSUJBWKQUXPBPO-UHFFFAOYSA-N
MW390.35 g/mol
LogP4.76
Rot. Bonds2

About 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one

3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one (PubChem CID 127255334) has the molecular formula C22H12F2N2O3 and a molecular weight of 390.35 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one
PubChem CID127255334
Molecular FormulaC22H12F2N2O3
Molecular Weight390.35 g/mol
Exact Mass390.08
IUPAC Name3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one
SMILESO=c1oc2ccccc2c(O)c1-c1c(-c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C22H12F2N2O3/c23-14-9-8-12(11-15(14)24)19-20(26-10-4-3-7-17(26)25-19)18-21(27)13-5-1-2-6-16(13)29-22(18)28/h1-11,27H
InChIKeyGSUJBWKQUXPBPO-UHFFFAOYSA-N
XLogP4.76
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one (CID 127255334) is 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one is O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(F)c(F)c2)nc2ccccn12.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one?
The InChIKey is GSUJBWKQUXPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2N2O3/c23-14-9-8-12(11-15(14)24)19-20(26-10-4-3-7-17(26)25-19)18-21(27)13-5-1-2-6-16(13)29-22(18)28/h1-11,27H.
What are the key properties of 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one?
3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one has a molecular weight of 390.35 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-hydroxychromen-2-one is sourced from PubChem (CID 127255334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).