4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide

C24H26FN5O2 — CID 5352127

IUPAC4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc([18F])cc2)c2ncccn2)CC1
InChIInChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3/i25-1
InChIKeyADELHWYAKAZUCR-FNNGWQQSSA-N
MW434.51 g/mol
LogP3.09
Rot. Bonds7

About 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide

4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide (PubChem CID 5352127) has the molecular formula C24H26FN5O2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide.

Molecular Properties

Compound Name4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide
PubChem CID5352127
Molecular FormulaC24H26FN5O2
Molecular Weight434.51 g/mol
Exact Mass434.21
IUPAC Name4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc([18F])cc2)c2ncccn2)CC1
InChIInChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3/i25-1
InChIKeyADELHWYAKAZUCR-FNNGWQQSSA-N
XLogP3.09
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide?
The IUPAC name of 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide (CID 5352127) is 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide.
What is the SMILES notation for 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide?
The canonical SMILES for 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide is COc1ccccc1N1CCN(CCN(C(=O)c2ccc([18F])cc2)c2ncccn2)CC1.
What is the InChIKey of 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide?
The InChIKey is ADELHWYAKAZUCR-FNNGWQQSSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3/i25-1.
What are the key properties of 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide?
4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide has a molecular weight of 434.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-yl(18F)benzamide is sourced from PubChem (CID 5352127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).