[4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

C20H20F2N4O — CID 42607043

IUPAC[4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCN(CC(F)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20F2N4O/c21-16-5-3-15(4-6-16)18(22)14-24-10-12-26(13-11-24)20(27)17-2-1-8-25-9-7-23-19(17)25/h1-9,18H,10-14H2
InChIKeyRFQBISKRBWMSHN-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.94
Rot. Bonds4

About [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

[4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (PubChem CID 42607043) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.

Molecular Properties

Compound Name[4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
PubChem CID42607043
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name[4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCN(CC(F)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20F2N4O/c21-16-5-3-15(4-6-16)18(22)14-24-10-12-26(13-11-24)20(27)17-2-1-8-25-9-7-23-19(17)25/h1-9,18H,10-14H2
InChIKeyRFQBISKRBWMSHN-UHFFFAOYSA-N
XLogP2.94
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The IUPAC name of [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (CID 42607043) is [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.
What is the SMILES notation for [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The canonical SMILES for [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is O=C(c1cccn2ccnc12)N1CCN(CC(F)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The InChIKey is RFQBISKRBWMSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-16-5-3-15(4-6-16)18(22)14-24-10-12-26(13-11-24)20(27)17-2-1-8-25-9-7-23-19(17)25/h1-9,18H,10-14H2.
What are the key properties of [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
[4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone has a molecular weight of 370.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-fluoro-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is sourced from PubChem (CID 42607043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).