[(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C25H30F2N6O2 — CID 166084259

About [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 166084259) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• PubChem CID: 166084259
• Molecular Formula: C25H30F2N6O2
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.24
• IUPAC Name: [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
• SMILES: O=C(N1CC2(CC(n3cnc(C4(O)CC4)n3)C2)C1)N1CC2(CC[C@H](Cc3ncc(F)cc3F)C2)C1
• InChI: InChI=1S/C25H30F2N6O2/c26-17-6-19(27)20(28-10-17)5-16-1-2-23(7-16)11-31(12-23)22(34)32-13-24(14-32)8-18(9-24)33-15-29-21(30-33)25(35)3-4-25/h6,10,15-16,18,35H,1-5,7-9,11-14H2/t16-/m1/s1
• InChIKey: QDBSLHNZHJFGCX-MRXNPFEDSA-N
• XLogP: 3.03
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The IUPAC name of [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 166084259) is [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

What is the SMILES notation for [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The canonical SMILES for [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(n3cnc(C4(O)CC4)n3)C2)C1)N1CC2(CC[C@H](Cc3ncc(F)cc3F)C2)C1.

What is the InChIKey of [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

The InChIKey is QDBSLHNZHJFGCX-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H30F2N6O2/c26-17-6-19(27)20(28-10-17)5-16-1-2-23(7-16)11-31(12-23)22(34)32-13-24(14-32)8-18(9-24)33-15-29-21(30-33)25(35)3-4-25/h6,10,15-16,18,35H,1-5,7-9,11-14H2/t16-/m1/s1.

What are the key properties of [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?

[(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 484.55 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(6S)-6-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.4]octan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 166084259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).