2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C25H24FN7O — CID 67092212

IUPAC2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccncn2)cc1Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H24FN7O/c26-20-6-4-19(5-7-20)15-21-16-23(22-8-10-27-18-29-22)30-33(21)17-25(34)32-13-11-31(12-14-32)24-3-1-2-9-28-24/h1-10,16,18H,11-15,17H2
InChIKeyGPCMUYJIQWPKJZ-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.81
Rot. Bonds6

About 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 67092212) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID67092212
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccncn2)cc1Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H24FN7O/c26-20-6-4-19(5-7-20)15-21-16-23(22-8-10-27-18-29-22)30-33(21)17-25(34)32-13-11-31(12-14-32)24-3-1-2-9-28-24/h1-10,16,18H,11-15,17H2
InChIKeyGPCMUYJIQWPKJZ-UHFFFAOYSA-N
XLogP2.81
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.81
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)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 67092212) is 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1nc(-c2ccncn2)cc1Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GPCMUYJIQWPKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c26-20-6-4-19(5-7-20)15-21-16-23(22-8-10-27-18-29-22)30-33(21)17-25(34)32-13-11-31(12-14-32)24-3-1-2-9-28-24/h1-10,16,18H,11-15,17H2.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 457.51 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 67092212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).