1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone

C24H22FN5O — CID 121107261

IUPAC1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C24H22FN5O/c25-20-7-5-18(6-8-20)21-15-23(27-17-26-21)28-11-13-29(14-12-28)24(31)16-30-10-9-19-3-1-2-4-22(19)30/h1-10,15,17H,11-14,16H2
InChIKeyWJWYXZZAGHRWMT-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.59
Rot. Bonds4

About 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone

1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone (PubChem CID 121107261) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone
PubChem CID121107261
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C24H22FN5O/c25-20-7-5-18(6-8-20)21-15-23(27-17-26-21)28-11-13-29(14-12-28)24(31)16-30-10-9-19-3-1-2-4-22(19)30/h1-10,15,17H,11-14,16H2
InChIKeyWJWYXZZAGHRWMT-UHFFFAOYSA-N
XLogP3.59
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121107345
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 90516792
2-(2-methoxyphenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516931
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-(4-ethoxyphenyl)-1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121107096
2-(2-chlorophenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516926
2-indol-1-yl-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122348765
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
(3-bromophenyl)-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107310
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 121107167
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 121107235

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone (CID 121107261) is 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone?
The InChIKey is WJWYXZZAGHRWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-20-7-5-18(6-8-20)21-15-23(27-17-26-21)28-11-13-29(14-12-28)24(31)16-30-10-9-19-3-1-2-4-22(19)30/h1-10,15,17H,11-14,16H2.
What are the key properties of 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone?
1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone has a molecular weight of 415.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 121107261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).