8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

C22H20ClF4N5O3 — CID 146465304

IUPAC8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCNC(=O)N1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20ClF4N5O3/c1-12(13-3-5-14(6-4-13)22(25,26)27)32-17(33)9-31(18-16(24)7-15(23)8-29-18)19(34)21(32)10-30(11-21)20(35)28-2/h3-8,12H,9-11H2,1-2H3,(H,28,35)
InChIKeyYYCHTWNXRNAXFB-UHFFFAOYSA-N
MW513.88 g/mol
LogP3.22
Rot. Bonds3

About 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (PubChem CID 146465304) has the molecular formula C22H20ClF4N5O3 and a molecular weight of 513.88 g/mol. Its IUPAC name is 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
PubChem CID146465304
Molecular FormulaC22H20ClF4N5O3
Molecular Weight513.88 g/mol
Exact Mass513.12
IUPAC Name8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCNC(=O)N1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2C(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H20ClF4N5O3/c1-12(13-3-5-14(6-4-13)22(25,26)27)32-17(33)9-31(18-16(24)7-15(23)8-29-18)19(34)21(32)10-30(11-21)20(35)28-2/h3-8,12H,9-11H2,1-2H3,(H,28,35)
InChIKeyYYCHTWNXRNAXFB-UHFFFAOYSA-N
XLogP3.22
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (CID 146465304) is 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is CNC(=O)N1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2C(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is YYCHTWNXRNAXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF4N5O3/c1-12(13-3-5-14(6-4-13)22(25,26)27)32-17(33)9-31(18-16(24)7-15(23)8-29-18)19(34)21(32)10-30(11-21)20(35)28-2/h3-8,12H,9-11H2,1-2H3,(H,28,35).
What are the key properties of 8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
8-(5-chloro-3-fluoro-2-pyridinyl)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 513.88 g/mol, XLogP of 3.22, 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)-N-methyl-6,9-dioxo-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 146465304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).