[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone

C23H26F3N7O — CID 169104225

IUPAC[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(N1CC(c2cnc(C3(C(F)(F)F)CC3)cn2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C23H26F3N7O/c24-23(25,26)22(3-4-22)17-8-27-16(7-28-17)15-9-32(10-15)20(34)33-11-21(12-33)5-14(6-21)19-29-18(30-31-19)13-1-2-13/h7-8,13-15H,1-6,9-12H2,(H,29,30,31)
InChIKeyPOULWVZGDYTJBS-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.46
Rot. Bonds4

About [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone

[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 169104225) has the molecular formula C23H26F3N7O and a molecular weight of 473.50 g/mol. Its IUPAC name is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID169104225
Molecular FormulaC23H26F3N7O
Molecular Weight473.50 g/mol
Exact Mass473.22
IUPAC Name[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(N1CC(c2cnc(C3(C(F)(F)F)CC3)cn2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1
InChIInChI=1S/C23H26F3N7O/c24-23(25,26)22(3-4-22)17-8-27-16(7-28-17)15-9-32(10-15)20(34)33-11-21(12-33)5-14(6-21)19-29-18(30-31-19)13-1-2-13/h7-8,13-15H,1-6,9-12H2,(H,29,30,31)
InChIKeyPOULWVZGDYTJBS-UHFFFAOYSA-N
XLogP3.46
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone (CID 169104225) is [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone is O=C(N1CC(c2cnc(C3(C(F)(F)F)CC3)cn2)C1)N1CC2(CC(c3n[nH]c(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is POULWVZGDYTJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N7O/c24-23(25,26)22(3-4-22)17-8-27-16(7-28-17)15-9-32(10-15)20(34)33-11-21(12-33)5-14(6-21)19-29-18(30-31-19)13-1-2-13/h7-8,13-15H,1-6,9-12H2,(H,29,30,31).
What are the key properties of [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone?
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 473.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[5-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 169104225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).