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

C25H30F2N6O2 — CID 169105096

IUPAC5-[[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
SMILESO=C(N1CC2(CC(Cc3c[nH]c(=O)c(C(F)F)c3)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C25H30F2N6O2/c26-19(27)18-4-14(9-28-22(18)34)3-15-5-24(6-15)10-32(11-24)23(35)33-12-25(13-33)7-17(8-25)21-29-20(30-31-21)16-1-2-16/h4,9,15-17,19H,1-3,5-8,10-13H2,(H,28,34)(H,29,30,31)
InChIKeyYFDMDSFEFFJPEQ-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.56
Rot. Bonds5

About 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

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 (PubChem CID 169105096) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID169105096
Molecular FormulaC25H30F2N6O2
Molecular Weight484.55 g/mol
Exact Mass484.24
IUPAC Name5-[[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
SMILESO=C(N1CC2(CC(Cc3c[nH]c(=O)c(C(F)F)c3)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C25H30F2N6O2/c26-19(27)18-4-14(9-28-22(18)34)3-15-5-24(6-15)10-32(11-24)23(35)33-12-25(13-33)7-17(8-25)21-29-20(30-31-21)16-1-2-16/h4,9,15-17,19H,1-3,5-8,10-13H2,(H,28,34)(H,29,30,31)
InChIKeyYFDMDSFEFFJPEQ-UHFFFAOYSA-N
XLogP3.56
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N1CC2(CC(Cc3c[nH]c(=O)c(C(F)F)c3)C2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1.
What is the InChIKey of 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?
The InChIKey is YFDMDSFEFFJPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O2/c26-19(27)18-4-14(9-28-22(18)34)3-15-5-24(6-15)10-32(11-24)23(35)33-12-25(13-33)7-17(8-25)21-29-20(30-31-21)16-1-2-16/h4,9,15-17,19H,1-3,5-8,10-13H2,(H,28,34)(H,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 484.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169105096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).