2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone

C25H24FN7O2 — CID 71573108

IUPAC2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccccc3)CC2)ncn1
InChIInChI=1S/C25H24FN7O2/c1-35-24-14-23(28-17-29-24)31-9-11-32(12-10-31)25(34)16-33-22(18-5-3-2-4-6-18)13-21(30-33)20-8-7-19(26)15-27-20/h2-8,13-15,17H,9-12,16H2,1H3
InChIKeyKFYRLZARVSTCTK-UHFFFAOYSA-N
MW473.51 g/mol
LogP2.90
Rot. Bonds6

About 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone

2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 71573108) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID71573108
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccccc3)CC2)ncn1
InChIInChI=1S/C25H24FN7O2/c1-35-24-14-23(28-17-29-24)31-9-11-32(12-10-31)25(34)16-33-22(18-5-3-2-4-6-18)13-21(30-33)20-8-7-19(26)15-27-20/h2-8,13-15,17H,9-12,16H2,1H3
InChIKeyKFYRLZARVSTCTK-UHFFFAOYSA-N
XLogP2.90
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone (CID 71573108) is 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone is COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cn4)cc3-c3ccccc3)CC2)ncn1.
What is the InChIKey of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is KFYRLZARVSTCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-35-24-14-23(28-17-29-24)31-9-11-32(12-10-31)25(34)16-33-22(18-5-3-2-4-6-18)13-21(30-33)20-8-7-19(26)15-27-20/h2-8,13-15,17H,9-12,16H2,1H3.
What are the key properties of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 473.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71573108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).