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

C20H16ClF4N3O3 — CID 146425522

IUPAC8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESO=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CC(O)C2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16ClF4N3O3/c21-13-5-15(22)17(26-8-13)27-10-16(30)28(19(18(27)31)6-14(29)7-19)9-11-1-3-12(4-2-11)20(23,24)25/h1-5,8,14,29H,6-7,9-10H2
InChIKeyUPYQKQHJBLJTFG-UHFFFAOYSA-N
MW457.81 g/mol
LogP3.16
Rot. Bonds3

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

8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione (PubChem CID 146425522) has the molecular formula C20H16ClF4N3O3 and a molecular weight of 457.81 g/mol. Its IUPAC name is 8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione
PubChem CID146425522
Molecular FormulaC20H16ClF4N3O3
Molecular Weight457.81 g/mol
Exact Mass457.08
IUPAC Name8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESO=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CC(O)C2)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16ClF4N3O3/c21-13-5-15(22)17(26-8-13)27-10-16(30)28(19(18(27)31)6-14(29)7-19)9-11-1-3-12(4-2-11)20(23,24)25/h1-5,8,14,29H,6-7,9-10H2
InChIKeyUPYQKQHJBLJTFG-UHFFFAOYSA-N
XLogP3.16
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.81
LogP ≤ 53.16
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)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione (CID 146425522) is 8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione is O=C1CN(c2ncc(Cl)cc2F)C(=O)C2(CC(O)C2)N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
The InChIKey is UPYQKQHJBLJTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF4N3O3/c21-13-5-15(22)17(26-8-13)27-10-16(30)28(19(18(27)31)6-14(29)7-19)9-11-1-3-12(4-2-11)20(23,24)25/h1-5,8,14,29H,6-7,9-10H2.
What are the key properties of 8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
8-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione has a molecular weight of 457.81 g/mol, XLogP of 3.16, 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)-2-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 146425522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).