2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C18H19N5O — CID 84577578

IUPAC2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc2[nH]ccc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H19N5O/c24-17(13-14-2-3-16-15(12-14)4-7-19-16)22-8-10-23(11-9-22)18-20-5-1-6-21-18/h1-7,12,19H,8-11,13H2
InChIKeyBAYWQWVKWFRDTQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.85
Rot. Bonds3

About 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 84577578) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID84577578
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc2[nH]ccc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H19N5O/c24-17(13-14-2-3-16-15(12-14)4-7-19-16)22-8-10-23(11-9-22)18-20-5-1-6-21-18/h1-7,12,19H,8-11,13H2
InChIKeyBAYWQWVKWFRDTQ-UHFFFAOYSA-N
XLogP1.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(1H-indol-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120728042
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
2-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110766851
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 84577281
N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
CID 55647098
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110773513
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 113211979
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530782

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 84577578) is 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1ccc2[nH]ccc2c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BAYWQWVKWFRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(13-14-2-3-16-15(12-14)4-7-19-16)22-8-10-23(11-9-22)18-20-5-1-6-21-18/h1-7,12,19H,8-11,13H2.
What are the key properties of 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 84577578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).