2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide

C24H31F3N6O2 — CID 169105229

IUPAC2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCC1(C(F)(F)F)CC1)C1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2
InChIInChI=1S/C24H31F3N6O2/c25-24(26,27)23(3-4-23)9-28-19(34)16-7-22(8-16)12-33(13-22)20(35)32-10-21(11-32)5-15(6-21)18-29-17(30-31-18)14-1-2-14/h14-16H,1-13H2,(H,28,34)(H,29,30,31)
InChIKeyFPVWZUDIAXYHCC-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.15
Rot. Bonds5

About 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide

2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 169105229) has the molecular formula C24H31F3N6O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID169105229
Molecular FormulaC24H31F3N6O2
Molecular Weight492.55 g/mol
Exact Mass492.25
IUPAC Name2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(NCC1(C(F)(F)F)CC1)C1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2
InChIInChI=1S/C24H31F3N6O2/c25-24(26,27)23(3-4-23)9-28-19(34)16-7-22(8-16)12-33(13-22)20(35)32-10-21(11-32)5-15(6-21)18-29-17(30-31-18)14-1-2-14/h14-16H,1-13H2,(H,28,34)(H,29,30,31)
InChIKeyFPVWZUDIAXYHCC-UHFFFAOYSA-N
XLogP3.15
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2-azaspiro[3.3]heptane-2-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 168205023
1-[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]-2,2,2-trifluoroethanone
CID 169104216
[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104241
[6-[3-(1-fluorocyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[1-(trifluoromethyl)cyclopropyl]methylamino]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone
CID 169104267
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-(trifluoromethyl)cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104272
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104276
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]azetidin-1-yl]methanone
CID 169104316
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[[1-(trifluoromethyl)cyclopropyl]methylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104399
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(trifluoromethyl)azetidin-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104498
N-[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]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169104733
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104780
6-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[1-(trifluoromethyl)cyclopropyl]-2,6-diazaspiro[3.3]heptane-2-sulfonamide
CID 169104886

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide (CID 169105229) is 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide is O=C(NCC1(C(F)(F)F)CC1)C1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2.
What is the InChIKey of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is FPVWZUDIAXYHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O2/c25-24(26,27)23(3-4-23)9-28-19(34)16-7-22(8-16)12-33(13-22)20(35)32-10-21(11-32)5-15(6-21)18-29-17(30-31-18)14-1-2-14/h14-16H,1-13H2,(H,28,34)(H,29,30,31).
What are the key properties of 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide?
2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 169105229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).