2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile

C23H23FN6O — CID 90039559

IUPAC2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2nc(NC3CC3)c(N3CCC(Cn4ccc(F)cc4=O)CC3)nc2c1
InChIInChI=1S/C23H23FN6O/c24-17-7-10-30(21(31)12-17)14-15-5-8-29(9-6-15)23-22(26-18-2-3-18)27-19-4-1-16(13-25)11-20(19)28-23/h1,4,7,10-12,15,18H,2-3,5-6,8-9,14H2,(H,26,27)
InChIKeyOYJCAXDVALBIIS-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.29
Rot. Bonds5

About 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile

2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile (PubChem CID 90039559) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile
PubChem CID90039559
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2nc(NC3CC3)c(N3CCC(Cn4ccc(F)cc4=O)CC3)nc2c1
InChIInChI=1S/C23H23FN6O/c24-17-7-10-30(21(31)12-17)14-15-5-8-29(9-6-15)23-22(26-18-2-3-18)27-19-4-1-16(13-25)11-20(19)28-23/h1,4,7,10-12,15,18H,2-3,5-6,8-9,14H2,(H,26,27)
InChIKeyOYJCAXDVALBIIS-UHFFFAOYSA-N
XLogP3.29
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile (CID 90039559) is 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile is N#Cc1ccc2nc(NC3CC3)c(N3CCC(Cn4ccc(F)cc4=O)CC3)nc2c1.
What is the InChIKey of 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile?
The InChIKey is OYJCAXDVALBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c24-17-7-10-30(21(31)12-17)14-15-5-8-29(9-6-15)23-22(26-18-2-3-18)27-19-4-1-16(13-25)11-20(19)28-23/h1,4,7,10-12,15,18H,2-3,5-6,8-9,14H2,(H,26,27).
What are the key properties of 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile?
2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile has a molecular weight of 418.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[4-[(4-fluoro-2-oxo-1-pyridinyl)methyl]piperidin-1-yl]quinoxaline-6-carbonitrile is sourced from PubChem (CID 90039559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).