4-[[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 169104587

IUPAC4-[[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(Cc3ccn(CC(F)(F)F)c(=O)c3)C2)C1
InChIInChI=1S/C25H30F3N7O2/c26-25(27,28)15-33-4-3-16(5-19(33)36)8-32-9-24(10-32)13-35(14-24)22(37)34-11-23(12-34)6-18(7-23)21-29-20(30-31-21)17-1-2-17/h3-5,17-18H,1-2,6-15H2,(H,29,30,31)
InChIKeyKUQJOVOCQONHNK-UHFFFAOYSA-N
MW517.56 g/mol
LogP2.52
Rot. Bonds5

About 4-[[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

4-[[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 169104587) has the molecular formula C25H30F3N7O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is 4-[[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 Name4-[[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 CID169104587
Molecular FormulaC25H30F3N7O2
Molecular Weight517.56 g/mol
Exact Mass517.24
IUPAC Name4-[[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(Cc3ccn(CC(F)(F)F)c(=O)c3)C2)C1
InChIInChI=1S/C25H30F3N7O2/c26-25(27,28)15-33-4-3-16(5-19(33)36)8-32-9-24(10-32)13-35(14-24)22(37)34-11-23(12-34)6-18(7-23)21-29-20(30-31-21)17-1-2-17/h3-5,17-18H,1-2,6-15H2,(H,29,30,31)
InChIKeyKUQJOVOCQONHNK-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 4-[[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

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Related Compounds

4-[1-[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]azetidin-3-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 166084332
1-[[2-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 169104328
1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-ylidene]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 169104398
1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 169104522
1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethyl)pyrazin-2-one
CID 169104555
1-[[3-[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]azetidin-3-yl]-1-bicyclo[1.1.1]pentanyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 169104834
1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
CID 169104915
1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethoxy)pyridin-2-one
CID 169104919
5-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-3-(difluoromethyl)-1H-pyridin-2-one
CID 169105096
1-[[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(difluoromethoxy)pyridin-2-one
CID 169105114
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
1-[[3-[1-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]azetidin-3-yl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-(trifluoromethyl)pyridin-2-one
CID 169105204

Frequently Asked Questions

What is the IUPAC name of 4-[[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 4-[[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 169104587) is 4-[[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 4-[[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 4-[[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(Cc3ccn(CC(F)(F)F)c(=O)c3)C2)C1.
What is the InChIKey of 4-[[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 KUQJOVOCQONHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O2/c26-25(27,28)15-33-4-3-16(5-19(33)36)8-32-9-24(10-32)13-35(14-24)22(37)34-11-23(12-34)6-18(7-23)21-29-20(30-31-21)17-1-2-17/h3-5,17-18H,1-2,6-15H2,(H,29,30,31).
What are the key properties of 4-[[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?
4-[[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 4-[[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 169104587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).