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

C24H27F3N6O2 — CID 169104312

IUPAC[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone
SMILESO=C(N1CC(c2ccc(C3(C(F)(F)F)CC3)nc2)C1)N1CC2(CC(c3nc(C4(O)CC4)n[nH]3)C2)C1
InChIInChI=1S/C24H27F3N6O2/c25-24(26,27)22(3-4-22)17-2-1-14(9-28-17)16-10-32(11-16)20(34)33-12-21(13-33)7-15(8-21)18-29-19(31-30-18)23(35)5-6-23/h1-2,9,15-16,35H,3-8,10-13H2,(H,29,30,31)
InChIKeyPSQHIVVBZHZZQJ-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.17
Rot. Bonds4

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

[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone (PubChem CID 169104312) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone
PubChem CID169104312
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Name[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone
SMILESO=C(N1CC(c2ccc(C3(C(F)(F)F)CC3)nc2)C1)N1CC2(CC(c3nc(C4(O)CC4)n[nH]3)C2)C1
InChIInChI=1S/C24H27F3N6O2/c25-24(26,27)22(3-4-22)17-2-1-14(9-28-17)16-10-32(11-16)20(34)33-12-21(13-33)7-15(8-21)18-29-19(31-30-18)23(35)5-6-23/h1-2,9,15-16,35H,3-8,10-13H2,(H,29,30,31)
InChIKeyPSQHIVVBZHZZQJ-UHFFFAOYSA-N
XLogP3.17
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone?
The IUPAC name of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone (CID 169104312) is [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone.
What is the SMILES notation for [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone?
The canonical SMILES for [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone is O=C(N1CC(c2ccc(C3(C(F)(F)F)CC3)nc2)C1)N1CC2(CC(c3nc(C4(O)CC4)n[nH]3)C2)C1.
What is the InChIKey of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone?
The InChIKey is PSQHIVVBZHZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c25-24(26,27)22(3-4-22)17-2-1-14(9-28-17)16-10-32(11-16)20(34)33-12-21(13-33)7-15(8-21)18-29-19(31-30-18)23(35)5-6-23/h1-2,9,15-16,35H,3-8,10-13H2,(H,29,30,31).
What are the key properties of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone?
[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone has a molecular weight of 488.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]azetidin-1-yl]methanone is sourced from PubChem (CID 169104312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).