2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide

C32H32F5N7O3 — CID 178084753

IUPAC2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
SMILESCOCc1c(F)cc(-c2c(C)nc(CC(N)=O)nc2C)cc1N1CCC2(CC1)N=C(c1ccc(C(F)(F)F)nc1C1(F)CC1)NC2=O
InChIInChI=1S/C32H32F5N7O3/c1-16-26(17(2)40-25(39-16)14-24(38)45)18-12-21(33)20(15-47-3)22(13-18)44-10-8-31(9-11-44)29(46)42-28(43-31)19-4-5-23(32(35,36)37)41-27(19)30(34)6-7-30/h4-5,12-13H,6-11,14-15H2,1-3H3,(H2,38,45)(H,42,43,46)
InChIKeyOWRWDZNEYTVYOU-UHFFFAOYSA-N
MW657.64 g/mol
LogP4.36
Rot. Bonds8

About 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide

2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide (PubChem CID 178084753) has the molecular formula C32H32F5N7O3 and a molecular weight of 657.64 g/mol. Its IUPAC name is 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
PubChem CID178084753
Molecular FormulaC32H32F5N7O3
Molecular Weight657.64 g/mol
Exact Mass657.25
IUPAC Name2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide
SMILESCOCc1c(F)cc(-c2c(C)nc(CC(N)=O)nc2C)cc1N1CCC2(CC1)N=C(c1ccc(C(F)(F)F)nc1C1(F)CC1)NC2=O
InChIInChI=1S/C32H32F5N7O3/c1-16-26(17(2)40-25(39-16)14-24(38)45)18-12-21(33)20(15-47-3)22(13-18)44-10-8-31(9-11-44)29(46)42-28(43-31)19-4-5-23(32(35,36)37)41-27(19)30(34)6-7-30/h4-5,12-13H,6-11,14-15H2,1-3H3,(H2,38,45)(H,42,43,46)
InChIKeyOWRWDZNEYTVYOU-UHFFFAOYSA-N
XLogP4.36
TPSA135.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.64
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
The IUPAC name of 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide (CID 178084753) is 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide is COCc1c(F)cc(-c2c(C)nc(CC(N)=O)nc2C)cc1N1CCC2(CC1)N=C(c1ccc(C(F)(F)F)nc1C1(F)CC1)NC2=O.
What is the InChIKey of 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
The InChIKey is OWRWDZNEYTVYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F5N7O3/c1-16-26(17(2)40-25(39-16)14-24(38)45)18-12-21(33)20(15-47-3)22(13-18)44-10-8-31(9-11-44)29(46)42-28(43-31)19-4-5-23(32(35,36)37)41-27(19)30(34)6-7-30/h4-5,12-13H,6-11,14-15H2,1-3H3,(H2,38,45)(H,42,43,46).
What are the key properties of 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide?
2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide has a molecular weight of 657.64 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-fluoro-5-[2-[2-(1-fluorocyclopropyl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-4-(methoxymethyl)phenyl]-4,6-dimethylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 178084753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).