[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C21H22F2N4O — CID 57391359

IUPAC[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N4O/c1-15-20(27-8-3-2-4-19(27)24-15)21(28)26-12-10-25(11-13-26)9-7-16-5-6-17(22)14-18(16)23/h2-6,8,14H,7,9-13H2,1H3
InChIKeyYUFAPQHGYPWKDY-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.92
Rot. Bonds4

About [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 57391359) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID57391359
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N4O/c1-15-20(27-8-3-2-4-19(27)24-15)21(28)26-12-10-25(11-13-26)9-7-16-5-6-17(22)14-18(16)23/h2-6,8,14H,7,9-13H2,1H3
InChIKeyYUFAPQHGYPWKDY-UHFFFAOYSA-N
XLogP2.92
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.92
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]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 57391359) is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is Cc1nc2ccccn2c1C(=O)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is YUFAPQHGYPWKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c1-15-20(27-8-3-2-4-19(27)24-15)21(28)26-12-10-25(11-13-26)9-7-16-5-6-17(22)14-18(16)23/h2-6,8,14H,7,9-13H2,1H3.
What are the key properties of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 384.43 g/mol, XLogP of 2.92, 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]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 57391359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).