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

C25H22F2N6O — CID 71572986

IUPAC2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H22F2N6O/c26-19-6-4-18(5-7-19)23-15-22(21-9-8-20(27)16-29-21)30-33(23)17-25(34)32-13-11-31(12-14-32)24-3-1-2-10-28-24/h1-10,15-16H,11-14,17H2
InChIKeyGDMJOCZHPKDMNA-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.63
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71572986) has the molecular formula C25H22F2N6O and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID71572986
Molecular FormulaC25H22F2N6O
Molecular Weight460.49 g/mol
Exact Mass460.18
IUPAC Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H22F2N6O/c26-19-6-4-18(5-7-19)23-15-22(21-9-8-20(27)16-29-21)30-33(23)17-25(34)32-13-11-31(12-14-32)24-3-1-2-10-28-24/h1-10,15-16H,11-14,17H2
InChIKeyGDMJOCZHPKDMNA-UHFFFAOYSA-N
XLogP3.63
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 71572986) is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-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-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GDMJOCZHPKDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O/c26-19-6-4-18(5-7-19)23-15-22(21-9-8-20(27)16-29-21)30-33(23)17-25(34)32-13-11-31(12-14-32)24-3-1-2-10-28-24/h1-10,15-16H,11-14,17H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 460.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71572986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).