7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione

C19H14ClF4N3O2 — CID 146425467

IUPAC7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESO=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CC2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14ClF4N3O2/c20-13-7-14(21)16(25-8-13)26-10-15(28)27(18(5-6-18)17(26)29)9-11-1-3-12(4-2-11)19(22,23)24/h1-4,7-8H,5-6,9-10H2
InChIKeyXPDJJJLMDYVRFX-UHFFFAOYSA-N
MW427.79 g/mol
LogP3.80
Rot. Bonds3

About 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione

7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione (PubChem CID 146425467) has the molecular formula C19H14ClF4N3O2 and a molecular weight of 427.79 g/mol. Its IUPAC name is 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione.

Molecular Properties

Compound Name7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione
PubChem CID146425467
Molecular FormulaC19H14ClF4N3O2
Molecular Weight427.79 g/mol
Exact Mass427.07
IUPAC Name7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESO=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CC2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14ClF4N3O2/c20-13-7-14(21)16(25-8-13)26-10-15(28)27(18(5-6-18)17(26)29)9-11-1-3-12(4-2-11)19(22,23)24/h1-4,7-8H,5-6,9-10H2
InChIKeyXPDJJJLMDYVRFX-UHFFFAOYSA-N
XLogP3.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione?
The IUPAC name of 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione (CID 146425467) is 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione.
What is the SMILES notation for 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione?
The canonical SMILES for 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione is O=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CC2)N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione?
The InChIKey is XPDJJJLMDYVRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O2/c20-13-7-14(21)16(25-8-13)26-10-15(28)27(18(5-6-18)17(26)29)9-11-1-3-12(4-2-11)19(22,23)24/h1-4,7-8H,5-6,9-10H2.
What are the key properties of 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione?
7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione has a molecular weight of 427.79 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-3-fluoro-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,7-diazaspiro[2.5]octane-5,8-dione is sourced from PubChem (CID 146425467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).