6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one

C24H33FN6O2 — CID 143280716

IUPAC6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESC=C(N)c1cnc(N2CCN(C3CCN(Cc4ccc(O)cc4F)CC3)C(CC)C2)c(=O)[nH]1
InChIInChI=1S/C24H33FN6O2/c1-3-18-15-30(23-24(33)28-22(13-27-23)16(2)26)10-11-31(18)19-6-8-29(9-7-19)14-17-4-5-20(32)12-21(17)25/h4-5,12-13,18-19,32H,2-3,6-11,14-15,26H2,1H3,(H,28,33)
InChIKeyUSEFKEXFECPYPN-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.11
Rot. Bonds6

About 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one

6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 143280716) has the molecular formula C24H33FN6O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID143280716
Molecular FormulaC24H33FN6O2
Molecular Weight456.57 g/mol
Exact Mass456.26
IUPAC Name6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESC=C(N)c1cnc(N2CCN(C3CCN(Cc4ccc(O)cc4F)CC3)C(CC)C2)c(=O)[nH]1
InChIInChI=1S/C24H33FN6O2/c1-3-18-15-30(23-24(33)28-22(13-27-23)16(2)26)10-11-31(18)19-6-8-29(9-7-19)14-17-4-5-20(32)12-21(17)25/h4-5,12-13,18-19,32H,2-3,6-11,14-15,26H2,1H3,(H,28,33)
InChIKeyUSEFKEXFECPYPN-UHFFFAOYSA-N
XLogP2.11
TPSA101.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one (CID 143280716) is 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one is C=C(N)c1cnc(N2CCN(C3CCN(Cc4ccc(O)cc4F)CC3)C(CC)C2)c(=O)[nH]1.
What is the InChIKey of 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is USEFKEXFECPYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2/c1-3-18-15-30(23-24(33)28-22(13-27-23)16(2)26)10-11-31(18)19-6-8-29(9-7-19)14-17-4-5-20(32)12-21(17)25/h4-5,12-13,18-19,32H,2-3,6-11,14-15,26H2,1H3,(H,28,33).
What are the key properties of 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one?
6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 456.57 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethenyl)-3-[3-ethyl-4-[1-[(2-fluoro-4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 143280716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).