1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone

C22H26N6O — CID 7678263

IUPAC1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
SMILESCCN1CCN(c2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H26N6O/c1-4-26-10-12-27(13-11-26)20-14-21(28-16(2)19(15-23-28)17(3)29)25-22(24-20)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyTZUKCYYLUGBJGD-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.98
Rot. Bonds5

About 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone

1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone (PubChem CID 7678263) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
PubChem CID7678263
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
SMILESCCN1CCN(c2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H26N6O/c1-4-26-10-12-27(13-11-26)20-14-21(28-16(2)19(15-23-28)17(3)29)25-22(24-20)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyTZUKCYYLUGBJGD-UHFFFAOYSA-N
XLogP2.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone (CID 7678263) is 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone is CCN1CCN(c2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
The InChIKey is TZUKCYYLUGBJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-4-26-10-12-27(13-11-26)20-14-21(28-16(2)19(15-23-28)17(3)29)25-22(24-20)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13H2,1-3H3.
What are the key properties of 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone?
1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 7678263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).