[3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

C24H28FN5O2 — CID 170565641

IUPAC[3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC(Oc2ccc(C3CC3)cc2F)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H28FN5O2/c25-20-7-17(15-1-2-15)5-6-21(20)32-19-10-28(11-19)23(31)29-12-24(13-29)8-18(9-24)30-14-26-22(27-30)16-3-4-16/h5-7,14-16,18-19H,1-4,8-13H2
InChIKeyOQKLQNYOYYJKSY-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.69
Rot. Bonds5

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

[3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 170565641) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID170565641
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name[3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC(Oc2ccc(C3CC3)cc2F)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H28FN5O2/c25-20-7-17(15-1-2-15)5-6-21(20)32-19-10-28(11-19)23(31)29-12-24(13-29)8-18(9-24)30-14-26-22(27-30)16-3-4-16/h5-7,14-16,18-19H,1-4,8-13H2
InChIKeyOQKLQNYOYYJKSY-UHFFFAOYSA-N
XLogP3.69
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 170565641) is [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC(Oc2ccc(C3CC3)cc2F)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is OQKLQNYOYYJKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c25-20-7-17(15-1-2-15)5-6-21(20)32-19-10-28(11-19)23(31)29-12-24(13-29)8-18(9-24)30-14-26-22(27-30)16-3-4-16/h5-7,14-16,18-19H,1-4,8-13H2.
What are the key properties of [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
[3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 437.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyl-2-fluorophenoxy)azetidin-1-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 170565641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).