2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C24H21F2N7O — CID 71573109

IUPAC2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H21F2N7O/c25-18-4-2-17(3-5-18)22-14-21(20-7-6-19(26)15-29-20)30-33(22)16-23(34)31-10-12-32(13-11-31)24-27-8-1-9-28-24/h1-9,14-15H,10-13,16H2
InChIKeyYPAHXWZNXVYNJZ-UHFFFAOYSA-N
MW461.48 g/mol
LogP3.03
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71573109) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71573109
Molecular FormulaC24H21F2N7O
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H21F2N7O/c25-18-4-2-17(3-5-18)22-14-21(20-7-6-19(26)15-29-20)30-33(22)16-23(34)31-10-12-32(13-11-31)24-27-8-1-9-28-24/h1-9,14-15H,10-13,16H2
InChIKeyYPAHXWZNXVYNJZ-UHFFFAOYSA-N
XLogP3.03
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71573109) is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is YPAHXWZNXVYNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O/c25-18-4-2-17(3-5-18)22-14-21(20-7-6-19(26)15-29-20)30-33(22)16-23(34)31-10-12-32(13-11-31)24-27-8-1-9-28-24/h1-9,14-15H,10-13,16H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 461.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71573109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).