[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone

C22H24F2N4O — CID 42607276

IUPAC[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone
SMILESCc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N4O/c1-15-13-16(2)28-8-6-25-21(28)20(15)22(29)27-11-9-26(10-12-27)7-5-17-3-4-18(23)14-19(17)24/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3
InChIKeyFRKLMSCCEDKZGG-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.23
Rot. Bonds4

About [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone

[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone (PubChem CID 42607276) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone
PubChem CID42607276
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone
SMILESCc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N4O/c1-15-13-16(2)28-8-6-25-21(28)20(15)22(29)27-11-9-26(10-12-27)7-5-17-3-4-18(23)14-19(17)24/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3
InChIKeyFRKLMSCCEDKZGG-UHFFFAOYSA-N
XLogP3.23
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone?
The IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone (CID 42607276) is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone.
What is the SMILES notation for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone?
The canonical SMILES for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone is Cc1cc(C)n2ccnc2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone?
The InChIKey is FRKLMSCCEDKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-15-13-16(2)28-8-6-25-21(28)20(15)22(29)27-11-9-26(10-12-27)7-5-17-3-4-18(23)14-19(17)24/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3.
What are the key properties of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone?
[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone has a molecular weight of 398.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(5,7-dimethylimidazo[1,2-a]pyridin-8-yl)methanone is sourced from PubChem (CID 42607276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).