8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C19H15ClF4N4O2 — CID 146425610

IUPAC8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESO=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CNC2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15ClF4N4O2/c20-13-5-14(21)16(26-6-13)27-8-15(29)28(18(17(27)30)9-25-10-18)7-11-1-3-12(4-2-11)19(22,23)24/h1-6,25H,7-10H2
InChIKeyHEINVSCFLMVGJI-UHFFFAOYSA-N
MW442.80 g/mol
LogP2.61
Rot. Bonds3

About 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 146425610) has the molecular formula C19H15ClF4N4O2 and a molecular weight of 442.80 g/mol. Its IUPAC name is 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID146425610
Molecular FormulaC19H15ClF4N4O2
Molecular Weight442.80 g/mol
Exact Mass442.08
IUPAC Name8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESO=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CNC2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15ClF4N4O2/c20-13-5-14(21)16(26-6-13)27-8-15(29)28(18(17(27)30)9-25-10-18)7-11-1-3-12(4-2-11)19(22,23)24/h1-6,25H,7-10H2
InChIKeyHEINVSCFLMVGJI-UHFFFAOYSA-N
XLogP2.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 146425610) is 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is O=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CNC2)N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is HEINVSCFLMVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF4N4O2/c20-13-5-14(21)16(26-6-13)27-8-15(29)28(18(17(27)30)9-25-10-18)7-11-1-3-12(4-2-11)19(22,23)24/h1-6,25H,7-10H2.
What are the key properties of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 442.80 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 146425610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).