8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C25H25FN4O — CID 54025158

IUPAC8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1cc(-c3ccc(F)cc3)ccn1)CC2
InChIInChI=1S/C25H25FN4O/c26-21-8-6-19(7-9-21)20-10-13-27-22(16-20)17-29-14-11-25(12-15-29)24(31)28-18-30(25)23-4-2-1-3-5-23/h1-10,13,16H,11-12,14-15,17-18H2,(H,28,31)
InChIKeyLBRDLSQSUXZPCQ-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.82
Rot. Bonds4

About 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 54025158) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID54025158
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1cc(-c3ccc(F)cc3)ccn1)CC2
InChIInChI=1S/C25H25FN4O/c26-21-8-6-19(7-9-21)20-10-13-27-22(16-20)17-29-14-11-25(12-15-29)24(31)28-18-30(25)23-4-2-1-3-5-23/h1-10,13,16H,11-12,14-15,17-18H2,(H,28,31)
InChIKeyLBRDLSQSUXZPCQ-UHFFFAOYSA-N
XLogP3.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 54025158) is 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(Cc1cc(-c3ccc(F)cc3)ccn1)CC2.
What is the InChIKey of 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is LBRDLSQSUXZPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-21-8-6-19(7-9-21)20-10-13-27-22(16-20)17-29-14-11-25(12-15-29)24(31)28-18-30(25)23-4-2-1-3-5-23/h1-10,13,16H,11-12,14-15,17-18H2,(H,28,31).
What are the key properties of 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 416.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 54025158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).