8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C18H18Cl2N4O — CID 45275575

IUPAC8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(c1c(Cl)cncc1Cl)CC2
InChIInChI=1S/C18H18Cl2N4O/c19-14-10-21-11-15(20)16(14)23-8-6-18(7-9-23)17(25)22-12-24(18)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyLHIXBTPQRBWKIF-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.32
Rot. Bonds2

About 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 45275575) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID45275575
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(c1c(Cl)cncc1Cl)CC2
InChIInChI=1S/C18H18Cl2N4O/c19-14-10-21-11-15(20)16(14)23-8-6-18(7-9-23)17(25)22-12-24(18)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyLHIXBTPQRBWKIF-UHFFFAOYSA-N
XLogP3.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 45275575) is 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(c1c(Cl)cncc1Cl)CC2.
What is the InChIKey of 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is LHIXBTPQRBWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c19-14-10-21-11-15(20)16(14)23-8-6-18(7-9-23)17(25)22-12-24(18)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,22,25).
What are the key properties of 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 377.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichloro-4-pyridinyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 45275575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).