2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one

C26H34FN7O — CID 123283853

IUPAC2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(Nc1c(-c2ccc(F)cc2)nc2cnccn12)C(=O)N1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C26H34FN7O/c1-20(26(35)33-17-15-32(16-18-33)14-13-31-10-3-2-4-11-31)29-25-24(21-5-7-22(27)8-6-21)30-23-19-28-9-12-34(23)25/h5-9,12,19-20,29H,2-4,10-11,13-18H2,1H3
InChIKeyWAPDPVHKTKSNKL-UHFFFAOYSA-N
MW479.60 g/mol
LogP2.97
Rot. Bonds7

About 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one

2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 123283853) has the molecular formula C26H34FN7O and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID123283853
Molecular FormulaC26H34FN7O
Molecular Weight479.60 g/mol
Exact Mass479.28
IUPAC Name2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(Nc1c(-c2ccc(F)cc2)nc2cnccn12)C(=O)N1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C26H34FN7O/c1-20(26(35)33-17-15-32(16-18-33)14-13-31-10-3-2-4-11-31)29-25-24(21-5-7-22(27)8-6-21)30-23-19-28-9-12-34(23)25/h5-9,12,19-20,29H,2-4,10-11,13-18H2,1H3
InChIKeyWAPDPVHKTKSNKL-UHFFFAOYSA-N
XLogP2.97
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one (CID 123283853) is 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one is CC(Nc1c(-c2ccc(F)cc2)nc2cnccn12)C(=O)N1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is WAPDPVHKTKSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN7O/c1-20(26(35)33-17-15-32(16-18-33)14-13-31-10-3-2-4-11-31)29-25-24(21-5-7-22(27)8-6-21)30-23-19-28-9-12-34(23)25/h5-9,12,19-20,29H,2-4,10-11,13-18H2,1H3.
What are the key properties of 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one?
2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 479.60 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 123283853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).