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

C25H23FN6O — CID 71572984

IUPAC2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H23FN6O/c26-20-9-10-21(28-17-20)22-16-23(19-6-2-1-3-7-19)32(29-22)18-25(33)31-14-12-30(13-15-31)24-8-4-5-11-27-24/h1-11,16-17H,12-15,18H2
InChIKeyRFMNNMWBIMPTLB-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.49
Rot. Bonds5

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

2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71572984) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID71572984
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H23FN6O/c26-20-9-10-21(28-17-20)22-16-23(19-6-2-1-3-7-19)32(29-22)18-25(33)31-14-12-30(13-15-31)24-8-4-5-11-27-24/h1-11,16-17H,12-15,18H2
InChIKeyRFMNNMWBIMPTLB-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 71572984) is 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RFMNNMWBIMPTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c26-20-9-10-21(28-17-20)22-16-23(19-6-2-1-3-7-19)32(29-22)18-25(33)31-14-12-30(13-15-31)24-8-4-5-11-27-24/h1-11,16-17H,12-15,18H2.
What are the key properties of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 442.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71572984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).