8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H28ClFN4O3 — CID 26224071

IUPAC8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C24H28ClFN4O3/c1-33-15-5-12-30-23(32)29(16-18-6-2-3-11-27-18)22(31)24(30)9-13-28(14-10-24)17-19-20(25)7-4-8-21(19)26/h2-4,6-8,11H,5,9-10,12-17H2,1H3
InChIKeyZZZIACUPIZCEDA-UHFFFAOYSA-N
MW474.96 g/mol
LogP3.71
Rot. Bonds8

About 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26224071) has the molecular formula C24H28ClFN4O3 and a molecular weight of 474.96 g/mol. Its IUPAC name is 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26224071
Molecular FormulaC24H28ClFN4O3
Molecular Weight474.96 g/mol
Exact Mass474.18
IUPAC Name8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1c(F)cccc1Cl)CC2
InChIInChI=1S/C24H28ClFN4O3/c1-33-15-5-12-30-23(32)29(16-18-6-2-3-11-27-18)22(31)24(30)9-13-28(14-10-24)17-19-20(25)7-4-8-21(19)26/h2-4,6-8,11H,5,9-10,12-17H2,1H3
InChIKeyZZZIACUPIZCEDA-UHFFFAOYSA-N
XLogP3.71
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26144977
8-[(4-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213795
1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221411
8-[(2S)-1-hydroxypropan-2-yl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229646
1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230801
3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142104
3-benzyl-1-(3-methoxypropyl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213764
3-benzyl-8-[(5-chloro-2-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133467
1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762
1-benzyl-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140755
8-[(2R)-1-methoxypropan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228990
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147418

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26224071) is 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1c(F)cccc1Cl)CC2.
What is the InChIKey of 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZZZIACUPIZCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O3/c1-33-15-5-12-30-23(32)29(16-18-6-2-3-11-27-18)22(31)24(30)9-13-28(14-10-24)17-19-20(25)7-4-8-21(19)26/h2-4,6-8,11H,5,9-10,12-17H2,1H3.
What are the key properties of 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 474.96 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26224071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).