1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone

C20H13ClFN3O — CID 86715530

IUPAC1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C20H13ClFN3O/c1-12(26)18-10-24-19-7-5-14(11-25(18)19)15-3-2-8-23-20(15)13-4-6-17(22)16(21)9-13/h2-11H,1H3
InChIKeyUTHPRRZRYUMQEH-UHFFFAOYSA-N
MW365.80 g/mol
LogP5.06
Rot. Bonds3

About 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone

1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 86715530) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID86715530
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C20H13ClFN3O/c1-12(26)18-10-24-19-7-5-14(11-25(18)19)15-3-2-8-23-20(15)13-4-6-17(22)16(21)9-13/h2-11H,1H3
InChIKeyUTHPRRZRYUMQEH-UHFFFAOYSA-N
XLogP5.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.80
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone (CID 86715530) is 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is UTHPRRZRYUMQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c1-12(26)18-10-24-19-7-5-14(11-25(18)19)15-3-2-8-23-20(15)13-4-6-17(22)16(21)9-13/h2-11H,1H3.
What are the key properties of 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone?
1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 365.80 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 86715530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).