3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one

C25H30F3N7O2 — CID 169105132

IUPAC3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=C(N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1)N1CC2(CN(Cc3cccn(CC(F)(F)F)c3=O)C2)C1
InChIInChI=1S/C25H30F3N7O2/c26-25(27,28)15-33-5-1-2-17(21(33)36)8-32-9-24(10-32)13-35(14-24)22(37)34-11-23(12-34)6-18(7-23)20-29-19(30-31-20)16-3-4-16/h1-2,5,16,18H,3-4,6-15H2,(H,29,30,31)
InChIKeyJHNJZGGNQRTECT-UHFFFAOYSA-N
MW517.56 g/mol
LogP2.52
Rot. Bonds5

About 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 169105132) has the molecular formula C25H30F3N7O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID169105132
Molecular FormulaC25H30F3N7O2
Molecular Weight517.56 g/mol
Exact Mass517.24
IUPAC Name3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=C(N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1)N1CC2(CN(Cc3cccn(CC(F)(F)F)c3=O)C2)C1
InChIInChI=1S/C25H30F3N7O2/c26-25(27,28)15-33-5-1-2-17(21(33)36)8-32-9-24(10-32)13-35(14-24)22(37)34-11-23(12-34)6-18(7-23)20-29-19(30-31-20)16-3-4-16/h1-2,5,16,18H,3-4,6-15H2,(H,29,30,31)
InChIKeyJHNJZGGNQRTECT-UHFFFAOYSA-N
XLogP2.52
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one 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 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 169105132) is 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one is O=C(N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1)N1CC2(CN(Cc3cccn(CC(F)(F)F)c3=O)C2)C1.
What is the InChIKey of 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is JHNJZGGNQRTECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O2/c26-25(27,28)15-33-5-1-2-17(21(33)36)8-32-9-24(10-32)13-35(14-24)22(37)34-11-23(12-34)6-18(7-23)20-29-19(30-31-20)16-3-4-16/h1-2,5,16,18H,3-4,6-15H2,(H,29,30,31).
What are the key properties of 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 517.56 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 169105132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).