2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone

C19H24FN5O — CID 71601993

IUPAC2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2n(c1C(=O)CN1CCN(c3ccc(F)cn3)CC1)CCCC2
InChIInChI=1S/C19H24FN5O/c1-14-19(25-7-3-2-4-18(25)22-14)16(26)13-23-8-10-24(11-9-23)17-6-5-15(20)12-21-17/h5-6,12H,2-4,7-11,13H2,1H3
InChIKeyGIBCQZOKZTXHKX-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.07
Rot. Bonds4

About 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone

2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 71601993) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID71601993
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2n(c1C(=O)CN1CCN(c3ccc(F)cn3)CC1)CCCC2
InChIInChI=1S/C19H24FN5O/c1-14-19(25-7-3-2-4-18(25)22-14)16(26)13-23-8-10-24(11-9-23)17-6-5-15(20)12-21-17/h5-6,12H,2-4,7-11,13H2,1H3
InChIKeyGIBCQZOKZTXHKX-UHFFFAOYSA-N
XLogP2.07
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone with MolForge

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Related Compounds

2-[4-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazinane-3,5-dione
CID 118987530
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
1-[4-(4,5-dichloro-2-methylimidazol-1-yl)butyl]-4-(5-fluoro-2-pyridinyl)piperazine
CID 142644845
1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8596859
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
CID 166402719
[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone
CID 136559926
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753
1-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 2810008
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
4-chloro-1-(5-fluoro-2-pyridinyl)azepane
CID 131020139
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
1-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazin-1-yl]propan-2-one
CID 58006657

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone (CID 71601993) is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1nc2n(c1C(=O)CN1CCN(c3ccc(F)cn3)CC1)CCCC2.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is GIBCQZOKZTXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-14-19(25-7-3-2-4-18(25)22-14)16(26)13-23-8-10-24(11-9-23)17-6-5-15(20)12-21-17/h5-6,12H,2-4,7-11,13H2,1H3.
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 357.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 71601993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).