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

C20H20F2N4O — CID 57401862

IUPAC[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESO=C(c1cn2ccccc2n1)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N4O/c21-16-5-4-15(17(22)13-16)6-8-24-9-11-25(12-10-24)20(27)18-14-26-7-2-1-3-19(26)23-18/h1-5,7,13-14H,6,8-12H2
InChIKeyJRRJIZLWKUYWDA-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.61
Rot. Bonds4

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

[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 57401862) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID57401862
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESO=C(c1cn2ccccc2n1)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N4O/c21-16-5-4-15(17(22)13-16)6-8-24-9-11-25(12-10-24)20(27)18-14-26-7-2-1-3-19(26)23-18/h1-5,7,13-14H,6,8-12H2
InChIKeyJRRJIZLWKUYWDA-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 42884687
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79612699
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259
4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid
CID 172761884
2-(4-fluorophenyl)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134056686
[2-[[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 46051871
7-fluoro-3-[4-[2-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 110608313
(4-fluorophenyl)-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 47022126
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603533
1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
CID 26400042
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
(5-methylimidazo[1,2-a]pyridin-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951738

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 57401862) is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is O=C(c1cn2ccccc2n1)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is JRRJIZLWKUYWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-16-5-4-15(17(22)13-16)6-8-24-9-11-25(12-10-24)20(27)18-14-26-7-2-1-3-19(26)23-18/h1-5,7,13-14H,6,8-12H2.
What are the key properties of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 370.40 g/mol, XLogP of 2.61, 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]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 57401862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).