2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile

C20H23F3N4O2 — CID 66722245

IUPAC2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(F)c(F)nc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c1F
InChIInChI=1S/C20H23F3N4O2/c21-15-14(10-24)16(22)18(25-17(15)23)26-8-1-6-20(11-26)7-9-27(19(20)29)12-2-4-13(28)5-3-12/h12-13,28H,1-9,11H2
InChIKeyTUYQGNQFCQTUEO-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.49
Rot. Bonds2

About 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile

2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile (PubChem CID 66722245) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile
PubChem CID66722245
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1c(F)c(F)nc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c1F
InChIInChI=1S/C20H23F3N4O2/c21-15-14(10-24)16(22)18(25-17(15)23)26-8-1-6-20(11-26)7-9-27(19(20)29)12-2-4-13(28)5-3-12/h12-13,28H,1-9,11H2
InChIKeyTUYQGNQFCQTUEO-UHFFFAOYSA-N
XLogP2.49
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile (CID 66722245) is 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile is N#Cc1c(F)c(F)nc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c1F.
What is the InChIKey of 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile?
The InChIKey is TUYQGNQFCQTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c21-15-14(10-24)16(22)18(25-17(15)23)26-8-1-6-20(11-26)7-9-27(19(20)29)12-2-4-13(28)5-3-12/h12-13,28H,1-9,11H2.
What are the key properties of 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile?
2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile has a molecular weight of 408.42 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 66722245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).