[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C24H28F2N6O — CID 166084289

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(Cc3ncc(F)cc3F)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H28F2N6O/c25-17-4-19(26)20(27-9-17)3-15-5-23(6-15)10-30(11-23)22(33)31-12-24(13-31)7-18(8-24)32-14-28-21(29-32)16-1-2-16/h4,9,14-16,18H,1-3,5-8,10-13H2
InChIKeyBTFGLTMULHHDHV-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.54
Rot. Bonds4

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 166084289) has the molecular formula C24H28F2N6O and a molecular weight of 454.53 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID166084289
Molecular FormulaC24H28F2N6O
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(Cc3ncc(F)cc3F)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H28F2N6O/c25-17-4-19(26)20(27-9-17)3-15-5-23(6-15)10-30(11-23)22(33)31-12-24(13-31)7-18(8-24)32-14-28-21(29-32)16-1-2-16/h4,9,14-16,18H,1-3,5-8,10-13H2
InChIKeyBTFGLTMULHHDHV-UHFFFAOYSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 166084289) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(Cc3ncc(F)cc3F)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is BTFGLTMULHHDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O/c25-17-4-19(26)20(27-9-17)3-15-5-23(6-15)10-30(11-23)22(33)31-12-24(13-31)7-18(8-24)32-14-28-21(29-32)16-1-2-16/h4,9,14-16,18H,1-3,5-8,10-13H2.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 166084289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).